0663-1037 Screening compound: N-{5-[(E)-[(4-fluorophenyl)methylidene]amino]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide

0663-1037 Screening compound: N-{5-[(E)-[(4-fluorophenyl)methylidene]amino]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide
0663-1037 Screening compound: N-{5-[(E)-[(4-fluorophenyl)methylidene]amino]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0663-1037
N-{5-[(E)-[(4-fluorophenyl)methylidene]amino]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide

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

0663-1037

Molecular Formula

C17H13FN4OS (C17 H13 FN4 OS)

Compound Name

N-{5-[(E)-[(4-fluorophenyl)methylidene]amino]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide

IUPAC name

N-{5-[(E)-[(4-fluorophenyl)methylidene]amino]-134-thiadiazol-2-yl}-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(Nc1nnc(/N=C/c(cc2)ccc2F)s1)=O

InChI

InChI=1S/C17H13FN4OS/c1-11-2-6-13(7-3-11)15(23)20-17-22-21-16(24-17)19-10-12-4-8-14(18)9-5-12/h2-10H,1H3,(H,20,22,23)

InChI Key

NGYDUTQBRZHWGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.978

Distribution Coefficient, logD

2.740

Water Solubility, LogSw

-4.01

Polar Surface Area

55.043

Acid Dissociation Constant (pKa)

6.19

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

0663-1037 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0663-1037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0663-1037?
Check Price and Availability of 0663-1037, 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 0663-1037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0663-1037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0663-1037
  • 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 0663-1037 available by request