K623-0163 Screening compound: 5-bromo-N~2~-(2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-{[4-(trifluoromethoxy)anilino]carbonyl}phenyl)-2-furamide

K623-0163 Screening compound: 5-bromo-N~2~-(2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-{[4-(trifluoromethoxy)anilino]carbonyl}phenyl)-2-furamide
K623-0163 Screening compound: 5-bromo-N~2~-(2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-{[4-(trifluoromethoxy)anilino]carbonyl}phenyl)-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0163
5-bromo-N~2~-(2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-{[4-(trifluoromethoxy)anilino]carbonyl}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

K623-0163

Molecular Formula

C30H24BrF3N4O5 (C30 H24 BrF3 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(o1)ccc1Br)Nc(cc(cc1)C(Nc(cc2)ccc2OC(F)(F)F)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O

InChI

InChI=1S/C30H24BrF3N4O5/c31-26-11-10-25(42-26)29(41)36-22-13-18(28(40)35-20-5-7-21(8-6-20)43-30(32,33)34)4-9-24(22)37-14-17-12-19(16-37)23-2-1-3-27(39)38(23)15-17/h1-11,13,17,19H,12,14-16H2,(H,35,40)(H,36,41)

InChI Key

JOTIESYCGZFPOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

657.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.571

Distribution Coefficient, logD

4.848

Water Solubility, LogSw

-6.11

Polar Surface Area

79.436

Acid Dissociation Constant (pKa)

5.69

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.30

K623-0163 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with K623-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0163?
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What is the minimum amount of K623-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0163
  • 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 K623-0163 available by request