K623-0141 Screening compound: 5-bromo-N~2~-[5-[(3-chloro-4-methoxyanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-furamide

K623-0141 Screening compound: 5-bromo-N~2~-[5-[(3-chloro-4-methoxyanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-furamide
K623-0141 Screening compound: 5-bromo-N~2~-[5-[(3-chloro-4-methoxyanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0141
5-bromo-N~2~-[5-[(3-chloro-4-methoxyanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-furamide

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

K623-0141

Molecular Formula

C30H26BrClN4O5 (C30 H26 BrClN4 O5)

Compound Name

5-bromo-N~2~-[5-[(3-chloro-4-methoxyanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-furamide

IUPAC name

5-bromo-N-{5-[(3-chloro-4-methoxyphenyl)carbamoyl]-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl}furan-2-carboxamide

SMILES

COc(ccc(NC(c(cc1)cc(NC(c(o2)ccc2Br)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)c1)c1Cl

InChI

InChI=1S/C30H26BrClN4O5/c1-40-25-8-6-20(13-21(25)32)33-29(38)18-5-7-24(22(12-18)34-30(39)26-9-10-27(31)41-26)35-14-17-11-19(16-35)23-3-2-4-28(37)36(23)15-17/h2-10,12-13,17,19H,11,14-16H2,1H3,(H,33,38)(H,34,39)

InChI Key

PWDTUTJPULDQFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

637.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.890

Distribution Coefficient, logD

4.167

Water Solubility, LogSw

-6.10

Polar Surface Area

81.130

Acid Dissociation Constant (pKa)

5.69

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.30

K623-0141 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K623-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0141?
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What is the minimum amount of K623-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0141
  • 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 K623-0141 available by request