K623-0199 Screening compound: ethyl 4-{[3-{[2-(2-chloro-6-fluorophenyl)acetyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

K623-0199 Screening compound: ethyl 4-{[3-{[2-(2-chloro-6-fluorophenyl)acetyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]amino}tetrahydro-1(2H)-pyridinecarboxylate
K623-0199 Screening compound: ethyl 4-{[3-{[2-(2-chloro-6-fluorophenyl)acetyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]amino}tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0199
ethyl 4-{[3-{[2-(2-chloro-6-fluorophenyl)acetyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K623-0199

Molecular Formula

C34H37ClFN5O5 (C34 H37 ClFN5 O5)

Compound Name

ethyl 4-{[3-{[2-(2-chloro-6-fluorophenyl)acetyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

IUPAC name

ethyl 4-{3-[2-(2-chloro-6-fluorophenyl)acetamido]-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamido}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c(cc1)cc(NC(Cc(c(F)ccc2)c2Cl)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)=O

InChI

InChI=1S/C34H37ClFN5O5/c1-2-46-34(45)39-13-11-24(12-14-39)37-33(44)22-9-10-30(28(16-22)38-31(42)17-25-26(35)5-3-6-27(25)36)40-18-21-15-23(20-40)29-7-4-8-32(43)41(29)19-21/h3-10,16,21,23-24H,2,11-15,17-20H2,1H3,(H,37,44)(H,38,42)

InChI Key

JNQSPLCHVLUBCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

650.15

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.793

Distribution Coefficient, logD

4.766

Water Solubility, LogSw

-5.03

Polar Surface Area

88.188

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.20

K623-0199 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K623-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0199?
Check Price and Availability of K623-0199, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K623-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0199
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K623-0199 available by request