V024-5904 Screening compound: 1-cyclopropyl-7-(3,3-dimethyl-2-oxobutyl)-3-(4-fluorophenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V024-5904 Screening compound: 1-cyclopropyl-7-(3,3-dimethyl-2-oxobutyl)-3-(4-fluorophenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V024-5904 Screening compound: 1-cyclopropyl-7-(3,3-dimethyl-2-oxobutyl)-3-(4-fluorophenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-5904
1-cyclopropyl-7-(3,3-dimethyl-2-oxobutyl)-3-(4-fluorophenyl)-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

V024-5904

Molecular Formula

C20H21FN4O3 (C20 H21 FN4 O3)

Compound Name

1-cyclopropyl-7-(3,3-dimethyl-2-oxobutyl)-3-(4-fluorophenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

1-cyclopropyl-7-(33-dimethyl-2-oxobutyl)-3-(4-fluorophenyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(C)(C)C(Cn1c(C(N(C2CC2)C(N2c(cc3)ccc3F)=O)=O)c2nc1)=O

InChI

InChI=1S/C20H21FN4O3/c1-20(2,3)15(26)10-23-11-22-17-16(23)18(27)25(14-8-9-14)19(28)24(17)13-6-4-12(21)5-7-13/h4-7,11,14H,8-10H2,1-3H3

InChI Key

AAXSUKMREPIETM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19921189

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

384.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.317

Distribution Coefficient, logD

2.317

Water Solubility, LogSw

-2.54

Polar Surface Area

55.346

Acid Dissociation Constant (pKa)

15.63

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with V024-5904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-5904?
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What is the minimum amount of V024-5904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-5904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-5904
  • 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 V024-5904 available by request