V021-5466 Screening compound: 7-[(3-chlorophenyl)methyl]-1-(prop-2-en-1-yl)-3-[4-(propan-2-yl)phenyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V021-5466 Screening compound: 7-[(3-chlorophenyl)methyl]-1-(prop-2-en-1-yl)-3-[4-(propan-2-yl)phenyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V021-5466 Screening compound: 7-[(3-chlorophenyl)methyl]-1-(prop-2-en-1-yl)-3-[4-(propan-2-yl)phenyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-5466
7-[(3-chlorophenyl)methyl]-1-(prop-2-en-1-yl)-3-[4-(propan-2-yl)phenyl]-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

V021-5466

Molecular Formula

C24H23ClN4O2 (C24 H23 ClN4 O2)

Compound Name

7-[(3-chlorophenyl)methyl]-1-(prop-2-en-1-yl)-3-[4-(propan-2-yl)phenyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[(3-chlorophenyl)methyl]-1-(prop-2-en-1-yl)-3-[4-(propan-2-yl)phenyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(C)c(cc1)ccc1N(c1c(C(N2CC=C)=O)n(Cc3cccc(Cl)c3)cn1)C2=O

InChI

InChI=1S/C24H23ClN4O2/c1-4-12-28-23(30)21-22(26-15-27(21)14-17-6-5-7-19(25)13-17)29(24(28)31)20-10-8-18(9-11-20)16(2)3/h4-11,13,15-16H,1,12,14H2,2-3H3

InChI Key

YRZFOBYDRSOBOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19904940

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

434.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.828

Distribution Coefficient, logD

4.828

Water Solubility, LogSw

-5.03

Polar Surface Area

42.524

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with V021-5466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-5466?
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What is the minimum amount of V021-5466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-5466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-5466
  • 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 V021-5466 available by request