K781-1250 Screening compound: 2-chloro-N~1~-[5-{[4-(4-nitrophenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]benzamide

K781-1250 Screening compound: 2-chloro-N~1~-[5-{[4-(4-nitrophenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]benzamide
K781-1250 Screening compound: 2-chloro-N~1~-[5-{[4-(4-nitrophenyl)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 K781-1250
2-chloro-N~1~-[5-{[4-(4-nitrophenyl)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

K781-1250

Molecular Formula

C35H33ClN6O5 (C35 H33 ClN6 O5)

Compound Name

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

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1C(c(cc1)cc(NC(c(cccc2)c2Cl)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)=O

InChI

InChI=1S/C35H33ClN6O5/c36-29-5-2-1-4-28(29)34(44)37-30-19-24(35(45)39-16-14-38(15-17-39)26-9-11-27(12-10-26)42(46)47)8-13-32(30)40-20-23-18-25(22-40)31-6-3-7-33(43)41(31)21-23/h1-13,19,23,25H,14-18,20-22H2,(H,37,44)

InChI Key

CCKAUCZJLLXLSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02653082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

653.14

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.377

Distribution Coefficient, logD

5.120

Water Solubility, LogSw

-5.72

Polar Surface Area

94.772

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

K781-1250 in Drug Discovery

Included in Screening Libraries

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 K781-1250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1250?
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What is the minimum amount of K781-1250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1250
  • 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 K781-1250 available by request