V022-4648 Screening compound: 3-(3-chlorophenyl)-7-[(3-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V022-4648 Screening compound: 3-(3-chlorophenyl)-7-[(3-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V022-4648 Screening compound: 3-(3-chlorophenyl)-7-[(3-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-4648
3-(3-chlorophenyl)-7-[(3-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-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

V022-4648

Molecular Formula

C25H17ClF2N4O2 (C25 H17 ClF2 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c(N2c3cccc(Cl)c3)ncn1Cc1cc(F)ccc1)N(Cc(cc1)ccc1F)C2=O

InChI

InChI=1S/C25H17ClF2N4O2/c26-18-4-2-6-21(12-18)32-23-22(30(15-29-23)13-17-3-1-5-20(28)11-17)24(33)31(25(32)34)14-16-7-9-19(27)10-8-16/h1-12,15H,13-14H2

InChI Key

QMNQTVJNVMEDFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19920376

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

478.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.743

Distribution Coefficient, logD

4.743

Water Solubility, LogSw

-4.92

Polar Surface Area

42.274

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

V022-4648 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V022-4648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-4648?
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What is the minimum amount of V022-4648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-4648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-4648
  • 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 V022-4648 available by request