V013-6527 Screening compound: N~1~-benzyl-N~1~-methyl-4-(2,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazol-3-yl)benzamide

V013-6527 Screening compound: N~1~-benzyl-N~1~-methyl-4-(2,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazol-3-yl)benzamide
V013-6527 Screening compound: N~1~-benzyl-N~1~-methyl-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 V013-6527
N~1~-benzyl-N~1~-methyl-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

V013-6527

Molecular Formula

C27H25N3O (C27 H25 N3 O)

Compound Name

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

IUPAC name

N-benzyl-4-{34-diazatricyclo[8.4.0.0^{26}]tetradeca-1(10)251113-pentaen-5-yl}-N-methylbenzamide

SMILES

CN(Cc1ccccc1)C(c(cc1)ccc1-c1c(CCCc2c-3cccc2)c3n[nH]1)=O

InChI

InChI=1S/C27H25N3O/c1-30(18-19-8-3-2-4-9-19)27(31)22-16-14-21(15-17-22)25-24-13-7-11-20-10-5-6-12-23(20)26(24)29-28-25/h2-6,8-10,12,14-17H,7,11,13,18H2,1H3,(H,28,29)

InChI Key

SFRFYPADIXSJME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19954229

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

407.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.482

Distribution Coefficient, logD

5.482

Water Solubility, LogSw

-5.43

Polar Surface Area

40.490

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

V013-6527 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 V013-6527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-6527?
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What is the minimum amount of V013-6527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-6527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-6527
  • 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 V013-6527 available by request