8010-0967 Screening compound: 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbonitrile

8010-0967 Screening compound: 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbonitrile
8010-0967 Screening compound: 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0967
1-[(2-fluorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbonitrile

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

8010-0967

Molecular Formula

C15H12FN5O2 (C15 H12 FN5 O2)

Compound Name

1-[(2-fluorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbonitrile

IUPAC name

1-[(2-fluorophenyl)methyl]-37-dimethyl-26-dioxo-2367-tetrahydro-1H-purine-8-carbonitrile

SMILES

Cn1c(C#N)nc(N(C)C(N2Cc(cccc3)c3F)=O)c1C2=O

InChI

InChI=1S/C15H12FN5O2/c1-19-11(7-17)18-13-12(19)14(22)21(15(23)20(13)2)8-9-5-3-4-6-10(9)16/h3-6H,8H2,1-2H3

InChI Key

JPILHSIAVOJLFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01871162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.778

Distribution Coefficient, logD

1.778

Water Solubility, LogSw

-2.07

Polar Surface Area

61.781

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8010-0967 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8010-0967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0967?
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What is the minimum amount of 8010-0967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0967
  • 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 8010-0967 available by request