V021-8275 Screening compound: methyl 4-{[1-(cyclopropylmethyl)-2,6-dioxo-3-phenyl-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate

V021-8275 Screening compound: methyl 4-{[1-(cyclopropylmethyl)-2,6-dioxo-3-phenyl-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate
V021-8275 Screening compound: methyl 4-{[1-(cyclopropylmethyl)-2,6-dioxo-3-phenyl-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-8275
methyl 4-{[1-(cyclopropylmethyl)-2,6-dioxo-3-phenyl-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

V021-8275

Molecular Formula

C24H22N4O4 (C24 H22 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

COC(c1ccc(Cn2c(C(N(CC3CC3)C(N3c4ccccc4)=O)=O)c3nc2)cc1)=O

InChI

InChI=1S/C24H22N4O4/c1-32-23(30)18-11-9-16(10-12-18)13-26-15-25-21-20(26)22(29)27(14-17-7-8-17)24(31)28(21)19-5-3-2-4-6-19/h2-6,9-12,15,17H,7-8,13-14H2,1H3

InChI Key

JJCCOGPOENUSHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19904668

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

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.173

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-3.17

Polar Surface Area

63.972

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V021-8275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-8275?
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What is the minimum amount of V021-8275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-8275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-8275
  • 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 V021-8275 available by request