2722-0119 Screening compound: 2-{(E)-1-[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one

2722-0119 Screening compound: 2-{(E)-1-[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one
2722-0119 Screening compound: 2-{(E)-1-[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2722-0119
2-{(E)-1-[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-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

2722-0119

Molecular Formula

C32H22N2O2S (C32 H22 N2 O2 S)

Compound Name

2-{(E)-1-[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one

IUPAC name

(4E)-4-{[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene}-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-3-one

SMILES

Cc1c(C2c(cccc3)c3OC(c3ccccc3)=C2/C=C2/Sc3nc(cccc4)c4n3C2=O)cccc1

InChI

InChI=1S/C32H22N2O2S/c1-20-11-5-6-14-22(20)29-23-15-7-10-18-27(23)36-30(21-12-3-2-4-13-21)24(29)19-28-31(35)34-26-17-9-8-16-25(26)33-32(34)37-28/h2-19,29H,1H3/t29-/m0/s1

InChI Key

VUPLKWXHXONNGM-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD01932718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.362

Distribution Coefficient, logD

7.362

Water Solubility, LogSw

-5.89

Polar Surface Area

31.074

Acid Dissociation Constant (pKa)

16.66

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.30

2722-0119 in Drug Discovery

Included in Screening Libraries

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 2722-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2722-0119?
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What is the minimum amount of 2722-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2722-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2722-0119
  • 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 2722-0119 available by request