V021-2126 Screening compound: 7-[(2-chlorophenyl)methyl]-1-(cyclopropylmethyl)-3-phenyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V021-2126 Screening compound: 7-[(2-chlorophenyl)methyl]-1-(cyclopropylmethyl)-3-phenyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V021-2126 Screening compound: 7-[(2-chlorophenyl)methyl]-1-(cyclopropylmethyl)-3-phenyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-2126
7-[(2-chlorophenyl)methyl]-1-(cyclopropylmethyl)-3-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

V021-2126

Molecular Formula

C22H19ClN4O2 (C22 H19 ClN4 O2)

Compound Name

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

IUPAC name

7-[(2-chlorophenyl)methyl]-1-(cyclopropylmethyl)-3-phenyl-2367-tetrahydro-1H-purine-26-dione

SMILES

O=C(c1c(N2c3ccccc3)ncn1Cc(cccc1)c1Cl)N(CC1CC1)C2=O

InChI

InChI=1S/C22H19ClN4O2/c23-18-9-5-4-6-16(18)13-25-14-24-20-19(25)21(28)26(12-15-10-11-15)22(29)27(20)17-7-2-1-3-8-17/h1-9,14-15H,10-13H2

InChI Key

MZGBVJHFNZCEOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19920754

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

3.731

Distribution Coefficient, logD

3.731

Water Solubility, LogSw

-3.92

Polar Surface Area

42.798

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with V021-2126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-2126?
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What is the minimum amount of V021-2126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-2126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-2126
  • 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 V021-2126 available by request