D337-2066 Screening compound: 5-(4-ethoxyphenyl)-N-(3-{[(furan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxamide

D337-2066 Screening compound: 5-(4-ethoxyphenyl)-N-(3-{[(furan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxamide
D337-2066 Screening compound: 5-(4-ethoxyphenyl)-N-(3-{[(furan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-2066
5-(4-ethoxyphenyl)-N-(3-{[(furan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-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

D337-2066

Molecular Formula

C26H25N3O5S (C26 H25 N3 O5 S)

Compound Name

5-(4-ethoxyphenyl)-N-(3-{[(furan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxamide

IUPAC name

5-(4-ethoxyphenyl)-N-(3-{[(furan-2-yl)methyl]carbamoyl}-4567-tetrahydro-1-benzothiophen-2-yl)-12-oxazole-3-carboxamide

SMILES

CCOc(cc1)ccc1-c1cc(C(Nc2c(C(NCc3ccco3)=O)c(CCCC3)c3s2)=O)no1

InChI

InChI=1S/C26H25N3O5S/c1-2-32-17-11-9-16(10-12-17)21-14-20(29-34-21)24(30)28-26-23(19-7-3-4-8-22(19)35-26)25(31)27-15-18-6-5-13-33-18/h5-6,9-14H,2-4,7-8,15H2,1H3,(H,27,31)(H,28,30)

InChI Key

MGDKHBJSEPQSOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08546053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.511

Distribution Coefficient, logD

4.886

Water Solubility, LogSw

-5.35

Polar Surface Area

83.866

Acid Dissociation Constant (pKa)

6.89

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

D337-2066 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D337-2066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-2066?
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What is the minimum amount of D337-2066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-2066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-2066
  • 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 D337-2066 available by request