K781-1737 Screening compound: 2-bromo-N~1~-[5-{[3-methyl-4-(3-methylphenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]benzamide

K781-1737 Screening compound: 2-bromo-N~1~-[5-{[3-methyl-4-(3-methylphenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]benzamide
K781-1737 Screening compound: 2-bromo-N~1~-[5-{[3-methyl-4-(3-methylphenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1737
2-bromo-N~1~-[5-{[3-methyl-4-(3-methylphenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)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

K781-1737

Molecular Formula

C37H38BrN5O3 (C37 H38 BrN5 O3)

Compound Name

2-bromo-N~1~-[5-{[3-methyl-4-(3-methylphenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]benzamide

IUPAC name

2-bromo-N-{5-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl}benzamide

SMILES

CC(CN(CC1)C(c(cc2)cc(NC(c(cccc3)c3Br)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C37H38BrN5O3/c1-24-7-5-8-29(17-24)42-16-15-40(20-25(42)2)37(46)27-13-14-34(32(19-27)39-36(45)30-9-3-4-10-31(30)38)41-21-26-18-28(23-41)33-11-6-12-35(44)43(33)22-26/h3-14,17,19,25-26,28H,15-16,18,20-23H2,1-2H3,(H,39,45)

InChI Key

KNMXUONSLYXJSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

680.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.064

Distribution Coefficient, logD

5.807

Water Solubility, LogSw

-5.49

Polar Surface Area

60.609

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

32.40

K781-1737 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K781-1737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1737?
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What is the minimum amount of K781-1737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1737
  • 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 K781-1737 available by request