D337-0655 Screening compound: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide

D337-0655 Screening compound: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
D337-0655 Screening compound: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-0655
N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(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

D337-0655

Molecular Formula

C24H21N3O3S2 (C24 H21 N3 O3 S2)

Compound Name

N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide

IUPAC name

N-[3-(benzylcarbamoyl)-4567-tetrahydro-1-benzothiophen-2-yl]-5-(thiophen-2-yl)-12-oxazole-3-carboxamide

SMILES

O=C(c1noc(-c2cccs2)c1)Nc1c(C(NCc2ccccc2)=O)c(CCCC2)c2s1

InChI

InChI=1S/C24H21N3O3S2/c28-22(17-13-18(30-27-17)20-11-6-12-31-20)26-24-21(16-9-4-5-10-19(16)32-24)23(29)25-14-15-7-2-1-3-8-15/h1-3,6-8,11-13H,4-5,9-10,14H2,(H,25,29)(H,26,28)

InChI Key

AFLXVBVVPNAWPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12915538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.179

Distribution Coefficient, logD

4.535

Water Solubility, LogSw

-5.43

Polar Surface Area

70.012

Acid Dissociation Constant (pKa)

6.87

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

D337-0655 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 D337-0655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-0655?
Check Price and Availability of D337-0655, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D337-0655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-0655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-0655
  • 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 D337-0655 available by request