K623-0328 Screening compound: N~2~-[5-(1-azepanylcarbonyl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-5-bromo-2-furamide

K623-0328 Screening compound: N~2~-[5-(1-azepanylcarbonyl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-5-bromo-2-furamide
K623-0328 Screening compound: N~2~-[5-(1-azepanylcarbonyl)-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 K623-0328
N~2~-[5-(1-azepanylcarbonyl)-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

K623-0328

Molecular Formula

C29H31BrN4O4 (C29 H31 BrN4 O4)

Compound Name

N~2~-[5-(1-azepanylcarbonyl)-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

N-[5-(azepane-1-carbonyl)-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl]-5-bromofuran-2-carboxamide

SMILES

O=C(c(o1)ccc1Br)Nc(cc(cc1)C(N2CCCCCC2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O

InChI

InChI=1S/C29H31BrN4O4/c30-26-11-10-25(38-26)28(36)31-22-15-20(29(37)32-12-3-1-2-4-13-32)8-9-24(22)33-16-19-14-21(18-33)23-6-5-7-27(35)34(23)17-19/h5-11,15,19,21H,1-4,12-14,16-18H2,(H,31,36)

InChI Key

QQPCIICHNNTFBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.873

Distribution Coefficient, logD

4.358

Water Solubility, LogSw

-4.73

Polar Surface Area

67.387

Acid Dissociation Constant (pKa)

7.04

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.40

K623-0328 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K623-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0328?
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What is the minimum amount of K623-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0328
  • 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 K623-0328 available by request