K623-0202 Screening compound: ethyl 4-{[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}tetrahydro-1(2H)-pyridinecarboxylate

K623-0202 Screening compound: ethyl 4-{[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}tetrahydro-1(2H)-pyridinecarboxylate
K623-0202 Screening compound: ethyl 4-{[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}tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0202
ethyl 4-{[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}tetrahydro-1(2H)-pyridinecarboxylate

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

K623-0202

Molecular Formula

C35H41N5O7 (C35 H41 N5 O7)

Compound Name

ethyl 4-{[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}tetrahydro-1(2H)-pyridinecarboxylate

IUPAC name

ethyl 4-[3-(35-dimethoxybenzamido)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamido]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c(cc1)cc(NC(c2cc(OC)cc(OC)c2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)=O

InChI

InChI=1S/C35H41N5O7/c1-4-47-35(44)38-12-10-26(11-13-38)36-33(42)23-8-9-31(29(17-23)37-34(43)24-15-27(45-2)18-28(16-24)46-3)39-19-22-14-25(21-39)30-6-5-7-32(41)40(30)20-22/h5-9,15-18,22,25-26H,4,10-14,19-21H2,1-3H3,(H,36,42)(H,37,43)

InChI Key

DUUSTZMDHFNBRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

643.74

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.560

Distribution Coefficient, logD

4.547

Water Solubility, LogSw

-4.29

Polar Surface Area

103.489

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

K623-0202 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 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
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K623-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0202?
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What is the minimum amount of K623-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0202
  • 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 K623-0202 available by request