1488-1968 Screening compound: 2-[(Z)-1-(2-chloro-6-fluorophenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

1488-1968 Screening compound: 2-[(Z)-1-(2-chloro-6-fluorophenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one
1488-1968 Screening compound: 2-[(Z)-1-(2-chloro-6-fluorophenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1488-1968
2-[(Z)-1-(2-chloro-6-fluorophenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

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

1488-1968

Molecular Formula

C16H8ClFN2OS (C16 H8 ClFN2 OS)

Compound Name

2-[(Z)-1-(2-chloro-6-fluorophenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

IUPAC name

(4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-3-one

SMILES

O=C(/C(/S1)=C/c(c(F)ccc2)c2Cl)n2c1nc1c2cccc1

InChI

InChI=1S/C16H8ClFN2OS/c17-10-4-3-5-11(18)9(10)8-14-15(21)20-13-7-2-1-6-12(13)19-16(20)22-14/h1-8H

InChI Key

LLLWOVJZUZKNAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00708885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.77

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.007

Distribution Coefficient, logD

4.007

Water Solubility, LogSw

-4.37

Polar Surface Area

24.453

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1488-1968 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1488-1968 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1488-1968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1488-1968
  • 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 1488-1968 available by request