V013-6231 Screening compound: N~1~-methyl-N~1~-[2-(2-pyridyl)ethyl]-4-(2,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazol-3-yl)benzamide

V013-6231 Screening compound: N~1~-methyl-N~1~-[2-(2-pyridyl)ethyl]-4-(2,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazol-3-yl)benzamide
V013-6231 Screening compound: N~1~-methyl-N~1~-[2-(2-pyridyl)ethyl]-4-(2,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazol-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-6231
N~1~-methyl-N~1~-[2-(2-pyridyl)ethyl]-4-(2,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazol-3-yl)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

V013-6231

Molecular Formula

C27H26N4O (C27 H26 N4 O)

Compound Name

N~1~-methyl-N~1~-[2-(2-pyridyl)ethyl]-4-(2,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazol-3-yl)benzamide

IUPAC name

n/a

SMILES

CN(CCc1ncccc1)C(c(cc1)ccc1-c1c(CCCc2c-3cccc2)c3n[nH]1)=O

InChI

InChI=1S/C27H26N4O/c1-31(18-16-22-9-4-5-17-28-22)27(32)21-14-12-20(13-15-21)25-24-11-6-8-19-7-2-3-10-23(19)26(24)30-29-25/h2-5,7,9-10,12-15,17H,6,8,11,16,18H2,1H3,(H,29,30)

InChI Key

WBRQTTOJLVQZDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19954213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.436

Distribution Coefficient, logD

4.436

Water Solubility, LogSw

-4.32

Polar Surface Area

50.012

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V013-6231 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V013-6231 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V013-6231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-6231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-6231
  • 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 V013-6231 available by request