5277-0795 Screening compound: methyl 4-chloro-3-(5-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-furyl)benzoate

5277-0795 Screening compound: methyl 4-chloro-3-(5-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-furyl)benzoate
5277-0795 Screening compound: methyl 4-chloro-3-(5-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-furyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5277-0795
methyl 4-chloro-3-(5-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-furyl)benzoate

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

5277-0795

Molecular Formula

C22H13ClN2O4S (C22 H13 ClN2 O4 S)

Compound Name

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

IUPAC name

methyl 4-chloro-3-(5-{[(4Z)-3-oxo-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-4-ylidene]methyl}furan-2-yl)benzoate

SMILES

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

InChI

InChI=1S/C22H13ClN2O4S/c1-28-21(27)12-6-8-15(23)14(10-12)18-9-7-13(29-18)11-19-20(26)25-17-5-3-2-4-16(17)24-22(25)30-19/h2-11H,1H3

InChI Key

FLYMZGBRJKTADB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03062180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.505

Distribution Coefficient, logD

5.505

Water Solubility, LogSw

-5.90

Polar Surface Area

53.196

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

5277-0795 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5277-0795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5277-0795?
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What is the minimum amount of 5277-0795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5277-0795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5277-0795
  • 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 5277-0795 available by request