8008-9040 Screening compound: 6-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

8008-9040 Screening compound: 6-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
8008-9040 Screening compound: 6-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9040
6-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-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

8008-9040

Molecular Formula

C11H6FN3OS (C11 H6 FN3 OS)

Compound Name

6-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

IUPAC name

6-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1234-tetrahydropyrimidine-5-carbonitrile

SMILES

N#CC(C(N1)=O)=C(c(cccc2)c2F)NC1=S

InChI

InChI=1S/C11H6FN3OS/c12-8-4-2-1-3-6(8)9-7(5-13)10(16)15-11(17)14-9/h1-4H,(H2,14,15,16,17)

InChI Key

LVYHOTADWZMGQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00446623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.658

Distribution Coefficient, logD

-3.500

Water Solubility, LogSw

-2.56

Polar Surface Area

53.041

Acid Dissociation Constant (pKa)

2.24

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8008-9040 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8008-9040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9040?
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What is the minimum amount of 8008-9040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9040
  • 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 8008-9040 available by request