4919-0190 Screening compound: 4-chloro-3-(5-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-furyl)benzoic acid

4919-0190 Screening compound: 4-chloro-3-(5-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-furyl)benzoic acid
4919-0190 Screening compound: 4-chloro-3-(5-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-furyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4919-0190
4-chloro-3-(5-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-furyl)benzoic acid

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

4919-0190

Molecular Formula

C21H11ClN2O4S (C21 H11 ClN2 O4 S)

Compound Name

4-chloro-3-(5-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-furyl)benzoic acid

IUPAC name

4-chloro-3-(5-{[(4E)-3-oxo-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)6810-tetraen-4-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

OC(c(cc1)cc(-c2ccc(/C=C3/Sc4nc(cccc5)c5n4C3=O)o2)c1Cl)=O

InChI

InChI=1S/C21H11ClN2O4S/c22-14-7-5-11(20(26)27)9-13(14)17-8-6-12(28-17)10-18-19(25)24-16-4-2-1-3-15(16)23-21(24)29-18/h1-10H,(H,26,27)

InChI Key

GPZCFDMVIYKQOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.357

Distribution Coefficient, logD

1.986

Water Solubility, LogSw

-5.51

Polar Surface Area

60.431

Acid Dissociation Constant (pKa)

4.03

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4919-0190 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 4919-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4919-0190?
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What is the minimum amount of 4919-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4919-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4919-0190
  • 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 4919-0190 available by request