V021-6037 Screening compound: 1-ethyl-3-(2-methylphenyl)-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V021-6037 Screening compound: 1-ethyl-3-(2-methylphenyl)-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V021-6037 Screening compound: 1-ethyl-3-(2-methylphenyl)-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6037
1-ethyl-3-(2-methylphenyl)-7-(2-methylpropyl)-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

V021-6037

Molecular Formula

C18H22N4O2 (C18 H22 N4 O2)

Compound Name

1-ethyl-3-(2-methylphenyl)-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

1-ethyl-3-(2-methylphenyl)-7-(2-methylpropyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CCN(C(c1c(N2c3c(C)cccc3)ncn1CC(C)C)=O)C2=O

InChI

InChI=1S/C18H22N4O2/c1-5-21-17(23)15-16(19-11-20(15)10-12(2)3)22(18(21)24)14-9-7-6-8-13(14)4/h6-9,11-12H,5,10H2,1-4H3

InChI Key

RXZYUIAAWJVQOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19921307

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.878

Distribution Coefficient, logD

2.878

Water Solubility, LogSw

-3.13

Polar Surface Area

42.241

Acid Dissociation Constant (pKa)

24.38

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

References: we are preparing a list of scientific research reports with V021-6037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6037?
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What is the minimum amount of V021-6037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6037
  • 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 V021-6037 available by request