V020-8300 Screening compound: 3-{[3-(2,4-difluorophenyl)-1-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzonitrile

V020-8300 Screening compound: 3-{[3-(2,4-difluorophenyl)-1-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzonitrile
V020-8300 Screening compound: 3-{[3-(2,4-difluorophenyl)-1-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-8300
3-{[3-(2,4-difluorophenyl)-1-(2-methoxyethyl)-2,6-dioxo-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

V020-8300

Molecular Formula

C22H17F2N5O3 (C22 H17 F2 N5 O3)

Compound Name

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

IUPAC name

3-{[3-(24-difluorophenyl)-1-(2-methoxyethyl)-26-dioxo-2367-tetrahydro-1H-purin-7-yl]methyl}benzonitrile

SMILES

COCCN(C(c1c(N2c(ccc(F)c3)c3F)ncn1Cc1cc(C#N)ccc1)=O)C2=O

InChI

InChI=1S/C22H17F2N5O3/c1-32-8-7-28-21(30)19-20(29(22(28)31)18-6-5-16(23)10-17(18)24)26-13-27(19)12-15-4-2-3-14(9-15)11-25/h2-6,9-10,13H,7-8,12H2,1H3

InChI Key

RFSGNHNUVOSPFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19920987

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

437.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.855

Distribution Coefficient, logD

1.855

Water Solubility, LogSw

-2.09

Polar Surface Area

67.622

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with V020-8300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-8300?
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What is the minimum amount of V020-8300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-8300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-8300
  • 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 V020-8300 available by request