K623-0037 Screening compound: diethyl 2-{[3-[(3,5-dimethoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]amino}malonate

K623-0037 Screening compound: diethyl 2-{[3-[(3,5-dimethoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]amino}malonate
K623-0037 Screening compound: diethyl 2-{[3-[(3,5-dimethoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]amino}malonate alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0037
diethyl 2-{[3-[(3,5-dimethoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]amino}malonate

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

K623-0037

Molecular Formula

C34H38N4O9 (C34 H38 N4 O9)

Compound Name

diethyl 2-{[3-[(3,5-dimethoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]amino}malonate

IUPAC name

13-diethyl 2-{[3-(35-dimethoxybenzamido)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl]formamido}propanedioate

SMILES

CCOC(C(C(OCC)=O)NC(c(cc1)cc(NC(c2cc(OC)cc(OC)c2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)=O

InChI

InChI=1S/C34H38N4O9/c1-5-46-33(42)30(34(43)47-6-2)36-31(40)21-10-11-28(26(15-21)35-32(41)22-13-24(44-3)16-25(14-22)45-4)37-17-20-12-23(19-37)27-8-7-9-29(39)38(27)18-20/h7-11,13-16,20,23,30H,5-6,12,17-19H2,1-4H3,(H,35,41)(H,36,40)

InChI Key

SIZBALJUYIBDBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

646.7

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.889

Distribution Coefficient, logD

3.877

Water Solubility, LogSw

-4.15

Polar Surface Area

122.114

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.20

K623-0037 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 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

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

References: we are preparing a list of scientific research reports with K623-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0037?
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What is the minimum amount of K623-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0037
  • 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 K623-0037 available by request