V029-5388 Screening compound: 3-(3-chlorophenyl)-7-(1-phenylethyl)-1-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V029-5388 Screening compound: 3-(3-chlorophenyl)-7-(1-phenylethyl)-1-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V029-5388 Screening compound: 3-(3-chlorophenyl)-7-(1-phenylethyl)-1-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5388
3-(3-chlorophenyl)-7-(1-phenylethyl)-1-(prop-2-en-1-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

V029-5388

Molecular Formula

C22H19ClN4O2 (C22 H19 ClN4 O2)

Compound Name

3-(3-chlorophenyl)-7-(1-phenylethyl)-1-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

3-(3-chlorophenyl)-7-(1-phenylethyl)-1-(prop-2-en-1-yl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(c1ccccc1)n1c(C(N(CC=C)C(N2c3cccc(Cl)c3)=O)=O)c2nc1

InChI

InChI=1S/C22H19ClN4O2/c1-3-12-25-21(28)19-20(27(22(25)29)18-11-7-10-17(23)13-18)24-14-26(19)15(2)16-8-5-4-6-9-16/h3-11,13-15H,1,12H2,2H3/t15-/m0/s1

InChI Key

PUQVCHPWRIMCIA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19920780

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

406.87

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

4.288

Distribution Coefficient, logD

4.288

Water Solubility, LogSw

-4.48

Polar Surface Area

42.936

Acid Dissociation Constant (pKa)

19.78

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with V029-5388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5388?
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What is the minimum amount of V029-5388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5388
  • 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 V029-5388 available by request