V021-6199 Screening compound: 7-[(3-chlorophenyl)methyl]-3-(2-methoxyphenyl)-1-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V021-6199 Screening compound: 7-[(3-chlorophenyl)methyl]-3-(2-methoxyphenyl)-1-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V021-6199 Screening compound: 7-[(3-chlorophenyl)methyl]-3-(2-methoxyphenyl)-1-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6199
7-[(3-chlorophenyl)methyl]-3-(2-methoxyphenyl)-1-(3-methylbutyl)-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

V021-6199

Molecular Formula

C24H25ClN4O3 (C24 H25 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCN(C(c1c(N2c(cccc3)c3OC)ncn1Cc1cccc(Cl)c1)=O)C2=O

InChI

InChI=1S/C24H25ClN4O3/c1-16(2)11-12-28-23(30)21-22(26-15-27(21)14-17-7-6-8-18(25)13-17)29(24(28)31)19-9-4-5-10-20(19)32-3/h4-10,13,15-16H,11-12,14H2,1-3H3

InChI Key

WKGFUENDQSJDIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19904349

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

452.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.499

Distribution Coefficient, logD

4.499

Water Solubility, LogSw

-4.60

Polar Surface Area

49.854

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with V021-6199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6199?
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What is the minimum amount of V021-6199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6199
  • 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 V021-6199 available by request