V016-3185 Screening compound: N~1~-(2-methylbenzyl)-4-(2,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazol-3-yl)benzamide

V016-3185 Screening compound: N~1~-(2-methylbenzyl)-4-(2,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazol-3-yl)benzamide
V016-3185 Screening compound: N~1~-(2-methylbenzyl)-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 V016-3185
N~1~-(2-methylbenzyl)-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

V016-3185

Molecular Formula

C27H25N3O (C27 H25 N3 O)

Compound Name

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

IUPAC name

4-{34-diazatricyclo[8.4.0.0^{26}]tetradeca-1(10)251113-pentaen-5-yl}-N-[(2-methylphenyl)methyl]benzamide

SMILES

Cc1c(CNC(c(cc2)ccc2-c2c(CCCc3c-4cccc3)c4n[nH]2)=O)cccc1

InChI

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

InChI Key

PRISQBLFECNWBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19954219

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

407.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.147

Distribution Coefficient, logD

6.146

Water Solubility, LogSw

-5.48

Polar Surface Area

48.753

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

V016-3185 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V016-3185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-3185?
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What is the minimum amount of V016-3185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-3185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-3185
  • 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 V016-3185 available by request