K781-1201 Screening compound: N~1~-[5-[(4-acetylpiperazino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-bromo-5-methoxybenzamide

K781-1201 Screening compound: N~1~-[5-[(4-acetylpiperazino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-bromo-5-methoxybenzamide
K781-1201 Screening compound: N~1~-[5-[(4-acetylpiperazino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-bromo-5-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1201
N~1~-[5-[(4-acetylpiperazino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-bromo-5-methoxybenzamide

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

K781-1201

Molecular Formula

C32H34BrN5O5 (C32 H34 BrN5 O5)

Compound Name

N~1~-[5-[(4-acetylpiperazino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-bromo-5-methoxybenzamide

IUPAC name

N-[5-(4-acetylpiperazine-1-carbonyl)-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl]-2-bromo-5-methoxybenzamide

SMILES

CC(N(CC1)CCN1C(c(cc1)cc(NC(c(cc(cc2)OC)c2Br)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)=O

InChI

InChI=1S/C32H34BrN5O5/c1-20(39)35-10-12-36(13-11-35)32(42)22-6-9-29(27(15-22)34-31(41)25-16-24(43-2)7-8-26(25)33)37-17-21-14-23(19-37)28-4-3-5-30(40)38(28)18-21/h3-9,15-16,21,23H,10-14,17-19H2,1-2H3,(H,34,41)

InChI Key

DDGHXZVDUSVFLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02653058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

648.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.502

Distribution Coefficient, logD

3.423

Water Solubility, LogSw

-3.78

Polar Surface Area

82.870

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

K781-1201 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 K781-1201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1201?
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What is the minimum amount of K781-1201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1201
  • 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 K781-1201 available by request