V015-9797 Screening compound: 2-{[3-(3,4-difluorophenyl)-2,6-dioxo-1-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzonitrile

V015-9797 Screening compound: 2-{[3-(3,4-difluorophenyl)-2,6-dioxo-1-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzonitrile
V015-9797 Screening compound: 2-{[3-(3,4-difluorophenyl)-2,6-dioxo-1-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-9797
2-{[3-(3,4-difluorophenyl)-2,6-dioxo-1-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzonitrile

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

V015-9797

Molecular Formula

C22H17F2N5O2 (C22 H17 F2 N5 O2)

Compound Name

2-{[3-(3,4-difluorophenyl)-2,6-dioxo-1-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzonitrile

IUPAC name

2-{[3-(34-difluorophenyl)-26-dioxo-1-(propan-2-yl)-2367-tetrahydro-1H-purin-7-yl]methyl}benzonitrile

SMILES

CC(C)N(C(c1c(N2c(cc3)cc(F)c3F)ncn1Cc(cccc1)c1C#N)=O)C2=O

InChI

InChI=1S/C22H17F2N5O2/c1-13(2)28-21(30)19-20(29(22(28)31)16-7-8-17(23)18(24)9-16)26-12-27(19)11-15-6-4-3-5-14(15)10-25/h3-9,12-13H,11H2,1-2H3

InChI Key

NLIPYLOYCCSEQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19921227

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

421.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.236

Distribution Coefficient, logD

3.236

Water Solubility, LogSw

-3.55

Polar Surface Area

59.323

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

V015-9797 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V015-9797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-9797?
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What is the minimum amount of V015-9797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-9797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-9797
  • 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 V015-9797 available by request