C692-0394 Screening compound: 7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C692-0394 Screening compound: 7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C692-0394 Screening compound: 7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C692-0394
7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-8-[(4-phenylpiperazin-1-yl)methyl]-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

C692-0394

Molecular Formula

C24H24ClFN6O2 (C24 H24 ClFN6 O2)

Compound Name

7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-8-[(4-phenylpiperazin-1-yl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2)=O)n(Cc(c(F)ccc3)c3Cl)c(CN(CC3)CCN3c3ccccc3)n1)C2=O

InChI

InChI=1S/C24H24ClFN6O2/c1-29-22-21(23(33)28-24(29)34)32(14-17-18(25)8-5-9-19(17)26)20(27-22)15-30-10-12-31(13-11-30)16-6-3-2-4-7-16/h2-9H,10-15H2,1H3,(H,28,33,34)

InChI Key

MAHBSVCXHXZMDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.571

Distribution Coefficient, logD

3.568

Water Solubility, LogSw

-3.95

Polar Surface Area

59.587

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C692-0394 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C692-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C692-0394?
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What is the minimum amount of C692-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C692-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C692-0394
  • 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 C692-0394 available by request