V029-7585 Screening compound: 3-(4-chlorophenyl)-7-[(3-chlorophenyl)methyl]-1-[(furan-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V029-7585 Screening compound: 3-(4-chlorophenyl)-7-[(3-chlorophenyl)methyl]-1-[(furan-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V029-7585 Screening compound: 3-(4-chlorophenyl)-7-[(3-chlorophenyl)methyl]-1-[(furan-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-7585
3-(4-chlorophenyl)-7-[(3-chlorophenyl)methyl]-1-[(furan-2-yl)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

V029-7585

Molecular Formula

C23H16Cl2N4O3 (C23 H16 Cl2 N4 O3)

Compound Name

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

IUPAC name

3-(4-chlorophenyl)-7-[(3-chlorophenyl)methyl]-1-[(furan-2-yl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

O=C(c1c(N2c(cc3)ccc3Cl)ncn1Cc1cccc(Cl)c1)N(Cc1ccco1)C2=O

InChI

InChI=1S/C23H16Cl2N4O3/c24-16-6-8-18(9-7-16)29-21-20(22(30)28(23(29)31)13-19-5-2-10-32-19)27(14-26-21)12-15-3-1-4-17(25)11-15/h1-11,14H,12-13H2

InChI Key

RQCHJBZKIAFWPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19920116

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

467.31

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

4.456

Distribution Coefficient, logD

4.456

Water Solubility, LogSw

-4.60

Polar Surface Area

50.023

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with V029-7585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-7585?
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What is the minimum amount of V029-7585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-7585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-7585
  • 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 V029-7585 available by request