V018-2032 Screening compound: 7-[(2-chlorophenyl)methyl]-3-(2-methoxyphenyl)-1-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V018-2032 Screening compound: 7-[(2-chlorophenyl)methyl]-3-(2-methoxyphenyl)-1-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V018-2032 Screening compound: 7-[(2-chlorophenyl)methyl]-3-(2-methoxyphenyl)-1-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-2032
7-[(2-chlorophenyl)methyl]-3-(2-methoxyphenyl)-1-(propan-2-yl)-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

V018-2032

Molecular Formula

C22H21ClN4O3 (C22 H21 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(C(c1c(N2c(cccc3)c3OC)ncn1Cc(cccc1)c1Cl)=O)C2=O

InChI

InChI=1S/C22H21ClN4O3/c1-14(2)26-21(28)19-20(24-13-25(19)12-15-8-4-5-9-16(15)23)27(22(26)29)17-10-6-7-11-18(17)30-3/h4-11,13-14H,12H2,1-3H3

InChI Key

OCRMTXGHBIVQRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19920851

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

424.89

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

3.546

Distribution Coefficient, logD

3.546

Water Solubility, LogSw

-3.57

Polar Surface Area

49.596

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with V018-2032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-2032?
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What is the minimum amount of V018-2032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-2032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-2032
  • 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 V018-2032 available by request