V021-6035 Screening compound: 1-benzyl-7-[(3,4-dichlorophenyl)methyl]-3-(3-methoxyphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V021-6035 Screening compound: 1-benzyl-7-[(3,4-dichlorophenyl)methyl]-3-(3-methoxyphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V021-6035 Screening compound: 1-benzyl-7-[(3,4-dichlorophenyl)methyl]-3-(3-methoxyphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6035
1-benzyl-7-[(3,4-dichlorophenyl)methyl]-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

V021-6035

Molecular Formula

C26H20Cl2N4O3 (C26 H20 Cl2 N4 O3)

Compound Name

1-benzyl-7-[(3,4-dichlorophenyl)methyl]-3-(3-methoxyphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

1-benzyl-7-[(34-dichlorophenyl)methyl]-3-(3-methoxyphenyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

COc1cccc(N(c2c(C(N3Cc4ccccc4)=O)n(Cc(cc4)cc(Cl)c4Cl)cn2)C3=O)c1

InChI

InChI=1S/C26H20Cl2N4O3/c1-35-20-9-5-8-19(13-20)32-24-23(25(33)31(26(32)34)15-17-6-3-2-4-7-17)30(16-29-24)14-18-10-11-21(27)22(28)12-18/h2-13,16H,14-15H2,1H3

InChI Key

SLCMKALINLBOBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19921283

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

507.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.434

Distribution Coefficient, logD

5.434

Water Solubility, LogSw

-5.95

Polar Surface Area

49.818

Acid Dissociation Constant (pKa)

21.29

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with V021-6035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6035?
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What is the minimum amount of V021-6035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6035
  • 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 V021-6035 available by request