D337-1096 Screening compound: 2,4-diethyl 3-methyl-5-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-amido]thiophene-2,4-dicarboxylate

D337-1096 Screening compound: 2,4-diethyl 3-methyl-5-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-amido]thiophene-2,4-dicarboxylate
D337-1096 Screening compound: 2,4-diethyl 3-methyl-5-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-amido]thiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-1096
2,4-diethyl 3-methyl-5-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-amido]thiophene-2,4-dicarboxylate

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

D337-1096

Molecular Formula

C24H24N2O7S (C24 H24 N2 O7 S)

Compound Name

2,4-diethyl 3-methyl-5-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-amido]thiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 3-methyl-5-[5-(2-methyl-23-dihydro-1-benzofuran-5-yl)-12-oxazole-3-amido]thiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(c2noc(-c(cc3)cc4c3OC(C)C4)c2)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C24H24N2O7S/c1-5-30-23(28)19-13(4)20(24(29)31-6-2)34-22(19)25-21(27)16-11-18(33-26-16)14-7-8-17-15(10-14)9-12(3)32-17/h7-8,10-12H,5-6,9H2,1-4H3,(H,25,27)/t12-/m1/s1

InChI Key

JERVPQFIJIVFET-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD12918366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.796

Distribution Coefficient, logD

2.673

Water Solubility, LogSw

-4.73

Polar Surface Area

93.568

Acid Dissociation Constant (pKa)

5.28

Base Dissociation Constant (pKb)

-6.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D337-1096 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D337-1096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-1096?
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What is the minimum amount of D337-1096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-1096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-1096
  • 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 D337-1096 available by request