V014-2102 Screening compound: N~1~-(2,3-difluorobenzyl)-4-(2,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazol-3-yl)benzamide

V014-2102 Screening compound: N~1~-(2,3-difluorobenzyl)-4-(2,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazol-3-yl)benzamide
V014-2102 Screening compound: N~1~-(2,3-difluorobenzyl)-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 V014-2102
N~1~-(2,3-difluorobenzyl)-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

V014-2102

Molecular Formula

C26H21F2N3O (C26 H21 F2 N3 O)

Compound Name

N~1~-(2,3-difluorobenzyl)-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-[(23-difluorophenyl)methyl]benzamide

SMILES

O=C(c(cc1)ccc1-c1c(CCCc2c-3cccc2)c3n[nH]1)NCc1cccc(F)c1F

InChI

InChI=1S/C26H21F2N3O/c27-22-10-4-7-19(23(22)28)15-29-26(32)18-13-11-17(12-14-18)24-21-9-3-6-16-5-1-2-8-20(16)25(21)31-30-24/h1-2,4-5,7-8,10-14H,3,6,9,15H2,(H,29,32)(H,30,31)

InChI Key

ONGKSPXARFFGHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19954244

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

429.47

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

5.867

Distribution Coefficient, logD

5.867

Water Solubility, LogSw

-5.95

Polar Surface Area

48.753

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

V014-2102 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V014-2102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-2102?
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What is the minimum amount of V014-2102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-2102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-2102
  • 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 V014-2102 available by request