K623-0218 Screening compound: N~2~-[5-[(allylanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-5-bromo-2-furamide

K623-0218 Screening compound: N~2~-[5-[(allylanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-5-bromo-2-furamide
K623-0218 Screening compound: N~2~-[5-[(allylanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-5-bromo-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0218
N~2~-[5-[(allylanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-5-bromo-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

K623-0218

Molecular Formula

C32H29BrN4O4 (C32 H29 BrN4 O4)

Compound Name

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

IUPAC name

5-bromo-N-(2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}-5-[phenyl(prop-2-en-1-yl)carbamoyl]phenyl)furan-2-carboxamide

SMILES

C=CCN(C(c(cc1)cc(NC(c(o2)ccc2Br)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)c1ccccc1

InChI

InChI=1S/C32H29BrN4O4/c1-2-15-36(24-7-4-3-5-8-24)32(40)22-11-12-27(25(17-22)34-31(39)28-13-14-29(33)41-28)35-18-21-16-23(20-35)26-9-6-10-30(38)37(26)19-21/h2-14,17,21,23H,1,15-16,18-20H2,(H,34,39)

InChI Key

VQODMIUHGZZSAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

613.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.743

Distribution Coefficient, logD

4.706

Water Solubility, LogSw

-5.89

Polar Surface Area

66.009

Acid Dissociation Constant (pKa)

6.40

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.90

K623-0218 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 K623-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0218?
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What is the minimum amount of K623-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0218
  • 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 K623-0218 available by request