D107-0790 Screening compound: 3-chloro-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-6-methyl-1-benzothiophene-2-carboxamide

D107-0790 Screening compound: 3-chloro-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-6-methyl-1-benzothiophene-2-carboxamide
D107-0790 Screening compound: 3-chloro-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-6-methyl-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D107-0790
3-chloro-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-6-methyl-1-benzothiophene-2-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

D107-0790

Molecular Formula

C19H12ClFN2O2S (C19 H12 ClFN2 O2 S)

Compound Name

3-chloro-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-6-methyl-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-[3-(4-fluorophenyl)-12-oxazol-5-yl]-6-methyl-1-benzothiophene-2-carboxamide

SMILES

Cc(cc1)cc2c1c(Cl)c(C(Nc1cc(-c(cc3)ccc3F)no1)=O)s2

InChI

InChI=1S/C19H12ClFN2O2S/c1-10-2-7-13-15(8-10)26-18(17(13)20)19(24)22-16-9-14(23-25-16)11-3-5-12(21)6-4-11/h2-9H,1H3,(H,22,24)

InChI Key

OHSMGTHJPHVUFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12920000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.965

Distribution Coefficient, logD

5.956

Water Solubility, LogSw

-6.38

Polar Surface Area

46.357

Acid Dissociation Constant (pKa)

9.08

Base Dissociation Constant (pKb)

-6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

D107-0790 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Aurora A-B Kinases Targeted Library (9426 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
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Proteases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D107-0790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D107-0790?
Check Price and Availability of D107-0790, 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 D107-0790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D107-0790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D107-0790
  • 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 D107-0790 available by request