D337-1180 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide

D337-1180 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide
D337-1180 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-1180
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide

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

D337-1180

Molecular Formula

C22H19N3O4S (C22 H19 N3 O4 S)

Compound Name

N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide

IUPAC name

N-(6-ethoxy-13-benzothiazol-2-yl)-5-(2-methyl-23-dihydro-1-benzofuran-5-yl)-12-oxazole-3-carboxamide

SMILES

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

InChI

InChI=1S/C22H19N3O4S/c1-3-27-15-5-6-16-20(10-15)30-22(23-16)24-21(26)17-11-19(29-25-17)13-4-7-18-14(9-13)8-12(2)28-18/h4-7,9-12H,3,8H2,1-2H3,(H,23,24,26)/t12-/m1/s1

InChI Key

KHQCEXMBNLJCGI-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD12920894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.523

Distribution Coefficient, logD

5.523

Water Solubility, LogSw

-5.41

Polar Surface Area

69.151

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

D337-1180 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D337-1180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-1180?
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What is the minimum amount of D337-1180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-1180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-1180
  • 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 D337-1180 available by request