V028-8231 Screening compound: 7-[2-(4-chlorophenyl)-2-oxoethyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V028-8231 Screening compound: 7-[2-(4-chlorophenyl)-2-oxoethyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V028-8231 Screening compound: 7-[2-(4-chlorophenyl)-2-oxoethyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-8231
7-[2-(4-chlorophenyl)-2-oxoethyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

V028-8231

Molecular Formula

C23H18ClFN4O3 (C23 H18 ClFN4 O3)

Compound Name

7-[2-(4-chlorophenyl)-2-oxoethyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[2-(4-chlorophenyl)-2-oxoethyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

O=C(Cn1c(C(N(CC2CC2)C(N2c(cc3)ccc3F)=O)=O)c2nc1)c(cc1)ccc1Cl

InChI

InChI=1S/C23H18ClFN4O3/c24-16-5-3-15(4-6-16)19(30)12-27-13-26-21-20(27)22(31)28(11-14-1-2-14)23(32)29(21)18-9-7-17(25)8-10-18/h3-10,13-14H,1-2,11-12H2

InChI Key

ZWCCMFRLIKYDKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19920540

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

452.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.327

Distribution Coefficient, logD

3.327

Water Solubility, LogSw

-3.78

Polar Surface Area

56.045

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with V028-8231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-8231?
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What is the minimum amount of V028-8231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-8231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-8231
  • 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 V028-8231 available by request