8255-0972 Screening compound: 7-(3,3-dimethyl-2-oxobutyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

8255-0972 Screening compound: 7-(3,3-dimethyl-2-oxobutyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
8255-0972 Screening compound: 7-(3,3-dimethyl-2-oxobutyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8255-0972
7-(3,3-dimethyl-2-oxobutyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-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

8255-0972

Molecular Formula

C24H31FN6O3 (C24 H31 FN6 O3)

Compound Name

7-(3,3-dimethyl-2-oxobutyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-(33-dimethyl-2-oxobutyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(C)(C)C(Cn1c(C(N(C)C(N2C)=O)=O)c2nc1CN(CC1)CCN1c(cc1)ccc1F)=O

InChI

InChI=1S/C24H31FN6O3/c1-24(2,3)18(32)14-31-19(26-21-20(31)22(33)28(5)23(34)27(21)4)15-29-10-12-30(13-11-29)17-8-6-16(25)7-9-17/h6-9H,10-15H2,1-5H3

InChI Key

JWUCFIGIOOSMJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08048235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.982

Distribution Coefficient, logD

2.980

Water Solubility, LogSw

-3.11

Polar Surface Area

64.192

Acid Dissociation Constant (pKa)

15.26

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8255-0972 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8255-0972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8255-0972?
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What is the minimum amount of 8255-0972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8255-0972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8255-0972
  • 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 8255-0972 available by request