K623-0305 Screening compound: ethyl 4-[3-[(4-methoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate

K623-0305 Screening compound: ethyl 4-[3-[(4-methoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate
K623-0305 Screening compound: ethyl 4-[3-[(4-methoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0305
ethyl 4-[3-[(4-methoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate

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

K623-0305

Molecular Formula

C33H37N5O6 (C33 H37 N5 O6)

Compound Name

ethyl 4-[3-[(4-methoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-[3-(4-methoxybenzamido)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzoyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c(cc1)cc(NC(c(cc2)ccc2OC)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)=O

InChI

InChI=1S/C33H37N5O6/c1-3-44-33(42)36-15-13-35(14-16-36)32(41)24-9-12-29(27(18-24)34-31(40)23-7-10-26(43-2)11-8-23)37-19-22-17-25(21-37)28-5-4-6-30(39)38(28)20-22/h4-12,18,22,25H,3,13-17,19-21H2,1-2H3,(H,34,40)

InChI Key

ZGQKQAQAKSVXNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

599.69

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.760

Distribution Coefficient, logD

3.740

Water Solubility, LogSw

-4.14

Polar Surface Area

88.454

Acid Dissociation Constant (pKa)

8.74

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.40

K623-0305 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K623-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0305?
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What is the minimum amount of K623-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0305
  • 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 K623-0305 available by request