D337-1181 Screening compound: ethyl 2-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-amido]-1,3-benzothiazole-6-carboxylate

D337-1181 Screening compound: ethyl 2-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-amido]-1,3-benzothiazole-6-carboxylate
D337-1181 Screening compound: ethyl 2-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-amido]-1,3-benzothiazole-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-1181
ethyl 2-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-amido]-1,3-benzothiazole-6-carboxylate

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

D337-1181

Molecular Formula

C23H19N3O5S (C23 H19 N3 O5 S)

Compound Name

ethyl 2-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-amido]-1,3-benzothiazole-6-carboxylate

IUPAC name

ethyl 2-[5-(2-methyl-23-dihydro-1-benzofuran-5-yl)-12-oxazole-3-amido]-13-benzothiazole-6-carboxylate

SMILES

CCOC(c(cc1)cc2c1nc(NC(c1noc(-c(cc3)cc4c3OC(C)C4)c1)=O)s2)=O

InChI

InChI=1S/C23H19N3O5S/c1-3-29-22(28)14-4-6-16-20(10-14)32-23(24-16)25-21(27)17-11-19(31-26-17)13-5-7-18-15(9-13)8-12(2)30-18/h4-7,9-12H,3,8H2,1-2H3,(H,24,25,27)/t12-/m1/s1

InChI Key

VWKSPAXVLADUNC-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD12920683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.675

Distribution Coefficient, logD

5.675

Water Solubility, LogSw

-5.47

Polar Surface Area

82.782

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

D337-1181 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D337-1181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-1181?
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What is the minimum amount of D337-1181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-1181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-1181
  • 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 D337-1181 available by request