D337-1114 Screening compound: methyl 2-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-amido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

D337-1114 Screening compound: methyl 2-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-amido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
D337-1114 Screening compound: methyl 2-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-amido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-1114
methyl 2-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-amido]-4H,5H,6H-cyclopenta[b]thiophene-3-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

D337-1114

Molecular Formula

C22H20N2O5S (C22 H20 N2 O5 S)

Compound Name

methyl 2-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-amido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

methyl 2-[5-(2-methyl-23-dihydro-1-benzofuran-5-yl)-12-oxazole-3-amido]-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CC(C1)Oc(cc2)c1cc2-c1cc(C(Nc2c(C(OC)=O)c(CCC3)c3s2)=O)no1

InChI

InChI=1S/C22H20N2O5S/c1-11-8-13-9-12(6-7-16(13)28-11)17-10-15(24-29-17)20(25)23-21-19(22(26)27-2)14-4-3-5-18(14)30-21/h6-7,9-11H,3-5,8H2,1-2H3,(H,23,25)/t11-/m1/s1

InChI Key

KBSQRMUMSHCBRE-LLVKDONJSA-N

MDL Number (MFCD)

MFCD12918362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.535

Distribution Coefficient, logD

2.214

Water Solubility, LogSw

-4.53

Polar Surface Area

73.521

Acid Dissociation Constant (pKa)

5.08

Base Dissociation Constant (pKb)

-6.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

D337-1114 in Drug Discovery

Included in Screening Libraries

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

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 D337-1114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-1114?
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What is the minimum amount of D337-1114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-1114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-1114
  • 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 D337-1114 available by request