2144-0856 Screening compound: ethyl 2-(5-bromo-2-methoxy-4-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenoxy)acetate

2144-0856 Screening compound: ethyl 2-(5-bromo-2-methoxy-4-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenoxy)acetate
2144-0856 Screening compound: ethyl 2-(5-bromo-2-methoxy-4-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2144-0856
ethyl 2-(5-bromo-2-methoxy-4-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenoxy)acetate

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

2144-0856

Molecular Formula

C21H17BrN2O5S (C21 H17 BrN2 O5 S)

Compound Name

ethyl 2-(5-bromo-2-methoxy-4-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenoxy)acetate

IUPAC name

ethyl 2-(5-bromo-2-methoxy-4-{[(4Z)-3-oxo-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-4-ylidene]methyl}phenoxy)acetate

SMILES

CCOC(COc1cc(Br)c(/C=C2\Sc3nc(cccc4)c4n3C2=O)cc1OC)=O

InChI

InChI=1S/C21H17BrN2O5S/c1-3-28-19(25)11-29-17-10-13(22)12(8-16(17)27-2)9-18-20(26)24-15-7-5-4-6-14(15)23-21(24)30-18/h4-10H,3,11H2,1-2H3

InChI Key

HUNGRWHUUHEMRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01036076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.341

Distribution Coefficient, logD

3.341

Water Solubility, LogSw

-3.56

Polar Surface Area

59.828

Acid Dissociation Constant (pKa)

24.61

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

2144-0856 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 2144-0856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2144-0856?
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What is the minimum amount of 2144-0856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2144-0856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2144-0856
  • 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 2144-0856 available by request