V024-1138 Screening compound: methyl 4-{[1-cyclopropyl-3-(3-methylphenyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate

V024-1138 Screening compound: methyl 4-{[1-cyclopropyl-3-(3-methylphenyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate
V024-1138 Screening compound: methyl 4-{[1-cyclopropyl-3-(3-methylphenyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-1138
methyl 4-{[1-cyclopropyl-3-(3-methylphenyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate

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

V024-1138

Molecular Formula

C24H22N4O4 (C24 H22 N4 O4)

Compound Name

methyl 4-{[1-cyclopropyl-3-(3-methylphenyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate

IUPAC name

methyl 4-{[1-cyclopropyl-3-(3-methylphenyl)-26-dioxo-2367-tetrahydro-1H-purin-7-yl]methyl}benzoate

SMILES

Cc1cccc(N(c2c(C(N3C4CC4)=O)n(Cc(cc4)ccc4C(OC)=O)cn2)C3=O)c1

InChI

InChI=1S/C24H22N4O4/c1-15-4-3-5-19(12-15)27-21-20(22(29)28(24(27)31)18-10-11-18)26(14-25-21)13-16-6-8-17(9-7-16)23(30)32-2/h3-9,12,14,18H,10-11,13H2,1-2H3

InChI Key

JTSNBTRTCJJUHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19921114

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

430.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.407

Distribution Coefficient, logD

3.407

Water Solubility, LogSw

-3.50

Polar Surface Area

63.001

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V024-1138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-1138?
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What is the minimum amount of V024-1138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-1138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-1138
  • 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 V024-1138 available by request