V028-8245 Screening compound: METHYL 2-{[1-CYCLOPENTYL-3-(3-FLUOROPHENYL)-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL]METHYL}BENZOATE

V028-8245 Screening compound: METHYL 2-{[1-CYCLOPENTYL-3-(3-FLUOROPHENYL)-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL]METHYL}BENZOATE
V028-8245 Screening compound: METHYL 2-{[1-CYCLOPENTYL-3-(3-FLUOROPHENYL)-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL]METHYL}BENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-8245
METHYL 2-{[1-CYCLOPENTYL-3-(3-FLUOROPHENYL)-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-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

V028-8245

Molecular Formula

C25H23FN4O4 (C25 H23 FN4 O4)

Compound Name

METHYL 2-{[1-CYCLOPENTYL-3-(3-FLUOROPHENYL)-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL]METHYL}BENZOATE

IUPAC name

n/a

SMILES

COC(c1c(Cn2c(C(N(C3CCCC3)C(N3c4cccc(F)c4)=O)=O)c3nc2)cccc1)=O

InChI

InChI=1S/C25H23FN4O4/c1-34-24(32)20-12-5-2-7-16(20)14-28-15-27-22-21(28)23(31)30(18-9-3-4-10-18)25(33)29(22)19-11-6-8-17(26)13-19/h2,5-8,11-13,15,18H,3-4,9-10,14H2,1H3

InChI Key

UQXVYGVMQDARCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19921385

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

462.48

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

3.529

Distribution Coefficient, logD

3.529

Water Solubility, LogSw

-3.74

Polar Surface Area

63.036

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V028-8245 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-8245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-8245?
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What is the minimum amount of V028-8245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-8245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-8245
  • 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 V028-8245 available by request