D337-1070 Screening compound: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide

D337-1070 Screening compound: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide
D337-1070 Screening compound: N-(4,6-dimethyl-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 D337-1070
N-(4,6-dimethyl-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

D337-1070

Molecular Formula

C22H19N3O3S (C22 H19 N3 O3 S)

Compound Name

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide

IUPAC name

N-(46-dimethyl-13-benzothiazol-2-yl)-5-(2-methyl-23-dihydro-1-benzofuran-5-yl)-12-oxazole-3-carboxamide

SMILES

CC(C1)Oc(cc2)c1cc2-c1cc(C(Nc2nc(c(C)cc(C)c3)c3s2)=O)no1

InChI

InChI=1S/C22H19N3O3S/c1-11-6-12(2)20-19(7-11)29-22(23-20)24-21(26)16-10-18(28-25-16)14-4-5-17-15(9-14)8-13(3)27-17/h4-7,9-10,13H,8H2,1-3H3,(H,23,24,26)/t13-/m1/s1

InChI Key

FMRYRUDFRUBURI-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD08550558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.926

Distribution Coefficient, logD

5.925

Water Solubility, LogSw

-5.51

Polar Surface Area

62.798

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

D337-1070 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D337-1070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-1070?
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What is the minimum amount of D337-1070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-1070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-1070
  • 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 D337-1070 available by request