K623-0191 Screening compound: 1-[3-[(3,5-dimethoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]-N~3~,N~3~-diethyl-3-piperidinecarboxamide

K623-0191 Screening compound: 1-[3-[(3,5-dimethoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]-N~3~,N~3~-diethyl-3-piperidinecarboxamide
K623-0191 Screening compound: 1-[3-[(3,5-dimethoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]-N~3~,N~3~-diethyl-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0191
1-[3-[(3,5-dimethoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]-N~3~,N~3~-diethyl-3-piperidinecarboxamide

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

K623-0191

Molecular Formula

C37H45N5O6 (C37 H45 N5 O6)

Compound Name

1-[3-[(3,5-dimethoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]-N~3~,N~3~-diethyl-3-piperidinecarboxamide

IUPAC name

1-[3-(35-dimethoxybenzamido)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzoyl]-NN-diethylpiperidine-3-carboxamide

SMILES

CCN(CC)C(C(CCC1)CN1C(c(cc1)cc(NC(c2cc(OC)cc(OC)c2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)=O

InChI

InChI=1S/C37H45N5O6/c1-5-39(6-2)37(46)26-9-8-14-40(22-26)36(45)25-12-13-33(31(18-25)38-35(44)27-16-29(47-3)19-30(17-27)48-4)41-20-24-15-28(23-41)32-10-7-11-34(43)42(32)21-24/h7,10-13,16-19,24,26,28H,5-6,8-9,14-15,20-23H2,1-4H3,(H,38,44)

InChI Key

LBRBBBQSDAHMQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

655.79

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.299

Distribution Coefficient, logD

4.296

Water Solubility, LogSw

-4.33

Polar Surface Area

89.084

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

45.90

K623-0191 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)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • 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 K623-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0191?
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What is the minimum amount of K623-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0191
  • 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 K623-0191 available by request