1889-0968 Screening compound: 2-[(Z)-1-(2,3-dimethoxyphenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

1889-0968 Screening compound: 2-[(Z)-1-(2,3-dimethoxyphenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one
1889-0968 Screening compound: 2-[(Z)-1-(2,3-dimethoxyphenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-0968
2-[(Z)-1-(2,3-dimethoxyphenyl)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

1889-0968

Molecular Formula

C18H14N2O3S (C18 H14 N2 O3 S)

Compound Name

2-[(Z)-1-(2,3-dimethoxyphenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

IUPAC name

(4Z)-4-[(23-dimethoxyphenyl)methylidene]-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)6810-tetraen-3-one

SMILES

COc1cccc(/C=C2\Sc3nc(cccc4)c4n3C2=O)c1OC

InChI

InChI=1S/C18H14N2O3S/c1-22-14-9-5-6-11(16(14)23-2)10-15-17(21)20-13-8-4-3-7-12(13)19-18(20)24-15/h3-10H,1-2H3

InChI Key

DXGSTIKPHULACD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01053410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.501

Distribution Coefficient, logD

3.501

Water Solubility, LogSw

-3.79

Polar Surface Area

39.800

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

1889-0968 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1889-0968 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 1889-0968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-0968
  • 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 1889-0968 available by request