D337-0884 Screening compound: 5-(4-chlorophenyl)-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4H,5H,6H-cyclopenta[b]thiophen-2-yl)-1,2-oxazole-3-carboxamide

D337-0884 Screening compound: 5-(4-chlorophenyl)-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4H,5H,6H-cyclopenta[b]thiophen-2-yl)-1,2-oxazole-3-carboxamide
D337-0884 Screening compound: 5-(4-chlorophenyl)-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4H,5H,6H-cyclopenta[b]thiophen-2-yl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-0884
5-(4-chlorophenyl)-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4H,5H,6H-cyclopenta[b]thiophen-2-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

D337-0884

Molecular Formula

C23H22ClN3O4S (C23 H22 ClN3 O4 S)

Compound Name

5-(4-chlorophenyl)-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4H,5H,6H-cyclopenta[b]thiophen-2-yl)-1,2-oxazole-3-carboxamide

IUPAC name

5-(4-chlorophenyl)-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4H5H6H-cyclopenta[b]thiophen-2-yl)-12-oxazole-3-carboxamide

SMILES

O=C(c1noc(-c(cc2)ccc2Cl)c1)Nc1c(C(NCC2OCCC2)=O)c(CCC2)c2s1

InChI

InChI=1S/C23H22ClN3O4S/c24-14-8-6-13(7-9-14)18-11-17(27-31-18)21(28)26-23-20(16-4-1-5-19(16)32-23)22(29)25-12-15-3-2-10-30-15/h6-9,11,15H,1-5,10,12H2,(H,25,29)(H,26,28)/t15-/m1/s1

InChI Key

DCYOVAJKROGPJW-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD08545087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.127

Distribution Coefficient, logD

3.275

Water Solubility, LogSw

-4.91

Polar Surface Area

78.013

Acid Dissociation Constant (pKa)

6.61

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

D337-0884 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D337-0884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-0884?
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What is the minimum amount of D337-0884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-0884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-0884
  • 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 D337-0884 available by request