8014-9831 Screening compound: N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2-oxo-4-phenyl-1-pyrrolidinyl)sulfonyl]benzamide

8014-9831 Screening compound: N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2-oxo-4-phenyl-1-pyrrolidinyl)sulfonyl]benzamide
8014-9831 Screening compound: N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2-oxo-4-phenyl-1-pyrrolidinyl)sulfonyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9831
N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2-oxo-4-phenyl-1-pyrrolidinyl)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

8014-9831

Molecular Formula

C21H20N4O4S2 (C21 H20 N4 O4 S2)

Compound Name

N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2-oxo-4-phenyl-1-pyrrolidinyl)sulfonyl]benzamide

IUPAC name

N-(5-ethyl-134-thiadiazol-2-yl)-3-[(2-oxo-4-phenylpyrrolidin-1-yl)sulfonyl]benzamide

SMILES

CCc1nnc(NC(c2cccc(S(N(CC(C3)c4ccccc4)C3=O)(=O)=O)c2)=O)s1

InChI

InChI=1S/C21H20N4O4S2/c1-2-18-23-24-21(30-18)22-20(27)15-9-6-10-17(11-15)31(28,29)25-13-16(12-19(25)26)14-7-4-3-5-8-14/h3-11,16H,2,12-13H2,1H3,(H,22,24,27)/t16-/m1/s1

InChI Key

XAOZOMDDZTZGJW-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD03821422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.249

Distribution Coefficient, logD

2.060

Water Solubility, LogSw

-3.52

Polar Surface Area

92.884

Acid Dissociation Constant (pKa)

6.24

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.81

8014-9831 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8014-9831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9831?
Check Price and Availability of 8014-9831, 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 8014-9831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9831
  • 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 8014-9831 available by request