D354-0113 Screening compound: N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide

D354-0113 Screening compound: N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide
D354-0113 Screening compound: N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D354-0113
N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(3-fluoro-4-methylphenyl)-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

D354-0113

Molecular Formula

C22H22FN3O3S (C22 H22 FN3 O3 S)

Compound Name

N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide

IUPAC name

N-[3-(ethylcarbamoyl)-4567-tetrahydro-1-benzothiophen-2-yl]-5-(3-fluoro-4-methylphenyl)-12-oxazole-3-carboxamide

SMILES

CCNC(c1c(NC(c2noc(-c3cc(F)c(C)cc3)c2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C22H22FN3O3S/c1-3-24-21(28)19-14-6-4-5-7-18(14)30-22(19)25-20(27)16-11-17(29-26-16)13-9-8-12(2)15(23)10-13/h8-11H,3-7H2,1-2H3,(H,24,28)(H,25,27)

InChI Key

BFKRWCWVBIDKDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08546983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.605

Distribution Coefficient, logD

3.771

Water Solubility, LogSw

-4.57

Polar Surface Area

68.891

Acid Dissociation Constant (pKa)

6.63

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D354-0113 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 D354-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D354-0113?
Check Price and Availability of D354-0113, 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 D354-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D354-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D354-0113
  • 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 D354-0113 available by request