K623-0070 Screening compound: 3,5-dimethoxy-N~1~-[2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-(1-pyrrolidinylcarbonyl)phenyl]benzamide

K623-0070 Screening compound: 3,5-dimethoxy-N~1~-[2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-(1-pyrrolidinylcarbonyl)phenyl]benzamide
K623-0070 Screening compound: 3,5-dimethoxy-N~1~-[2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-(1-pyrrolidinylcarbonyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0070
3,5-dimethoxy-N~1~-[2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-(1-pyrrolidinylcarbonyl)phenyl]benzamide

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

K623-0070

Molecular Formula

C31H34N4O5 (C31 H34 N4 O5)

Compound Name

3,5-dimethoxy-N~1~-[2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-(1-pyrrolidinylcarbonyl)phenyl]benzamide

IUPAC name

35-dimethoxy-N-(2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}-5-(pyrrolidine-1-carbonyl)phenyl)benzamide

SMILES

COc1cc(C(Nc(cc(cc2)C(N3CCCC3)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)cc(OC)c1

InChI

InChI=1S/C31H34N4O5/c1-39-24-13-22(14-25(16-24)40-2)30(37)32-26-15-21(31(38)33-10-3-4-11-33)8-9-28(26)34-17-20-12-23(19-34)27-6-5-7-29(36)35(27)18-20/h5-9,13-16,20,23H,3-4,10-12,17-19H2,1-2H3,(H,32,37)

InChI Key

PAYQULHGFMSYBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.218

Distribution Coefficient, logD

4.215

Water Solubility, LogSw

-4.28

Polar Surface Area

73.584

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.70

K623-0070 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 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

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K623-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0070?
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What is the minimum amount of K623-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0070
  • 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 K623-0070 available by request