0663-1068 Screening compound: N-{5-[(E)-[(4-fluorophenyl)methylidene]amino]-1,3,4-thiadiazol-2-yl}-4-(morpholine-4-sulfonyl)benzamide

0663-1068 Screening compound: N-{5-[(E)-[(4-fluorophenyl)methylidene]amino]-1,3,4-thiadiazol-2-yl}-4-(morpholine-4-sulfonyl)benzamide
0663-1068 Screening compound: N-{5-[(E)-[(4-fluorophenyl)methylidene]amino]-1,3,4-thiadiazol-2-yl}-4-(morpholine-4-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0663-1068
N-{5-[(E)-[(4-fluorophenyl)methylidene]amino]-1,3,4-thiadiazol-2-yl}-4-(morpholine-4-sulfonyl)benzamide

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

0663-1068

Molecular Formula

C20H18FN5O4S2 (C20 H18 FN5 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1S(N1CCOCC1)(=O)=O)Nc1nnc(/N=C/c(cc2)ccc2F)s1

InChI

InChI=1S/C20H18FN5O4S2/c21-16-5-1-14(2-6-16)13-22-19-24-25-20(31-19)23-18(27)15-3-7-17(8-4-15)32(28,29)26-9-11-30-12-10-26/h1-8,13H,9-12H2,(H,23,25,27)

InChI Key

MDISKPSQHYOFAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00990647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.662

Distribution Coefficient, logD

1.034

Water Solubility, LogSw

-3.20

Polar Surface Area

94.662

Acid Dissociation Constant (pKa)

5.78

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

0663-1068 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0663-1068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0663-1068?
Check Price and Availability of 0663-1068, 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 0663-1068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0663-1068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0663-1068
  • 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 0663-1068 available by request