V029-5391 Screening compound: 7-[(3-chlorophenyl)methyl]-1-ethyl-3-(3-methoxyphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V029-5391 Screening compound: 7-[(3-chlorophenyl)methyl]-1-ethyl-3-(3-methoxyphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V029-5391 Screening compound: 7-[(3-chlorophenyl)methyl]-1-ethyl-3-(3-methoxyphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5391
7-[(3-chlorophenyl)methyl]-1-ethyl-3-(3-methoxyphenyl)-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

V029-5391

Molecular Formula

C21H19ClN4O3 (C21 H19 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(c1c(N2c3cc(OC)ccc3)ncn1Cc1cccc(Cl)c1)=O)C2=O

InChI

InChI=1S/C21H19ClN4O3/c1-3-25-20(27)18-19(23-13-24(18)12-14-6-4-7-15(22)10-14)26(21(25)28)16-8-5-9-17(11-16)29-2/h4-11,13H,3,12H2,1-2H3

InChI Key

OUBDECYDCKVMPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19905015

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

410.86

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

3.499

Distribution Coefficient, logD

3.499

Water Solubility, LogSw

-3.59

Polar Surface Area

49.815

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with V029-5391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5391?
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What is the minimum amount of V029-5391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5391
  • 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 V029-5391 available by request