F793-0457 Screening compound: N-(4-methylphenyl)-5-(1-{[2-(trifluoromethyl)phenyl]carbamoyl}pyrrolidin-2-yl)-1,3,4-thiadiazole-2-carboxamide

F793-0457 Screening compound: N-(4-methylphenyl)-5-(1-{[2-(trifluoromethyl)phenyl]carbamoyl}pyrrolidin-2-yl)-1,3,4-thiadiazole-2-carboxamide
F793-0457 Screening compound: N-(4-methylphenyl)-5-(1-{[2-(trifluoromethyl)phenyl]carbamoyl}pyrrolidin-2-yl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F793-0457
N-(4-methylphenyl)-5-(1-{[2-(trifluoromethyl)phenyl]carbamoyl}pyrrolidin-2-yl)-1,3,4-thiadiazole-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

F793-0457

Molecular Formula

C22H20F3N5O2S (C22 H20 F3 N5 O2 S)

Compound Name

N-(4-methylphenyl)-5-(1-{[2-(trifluoromethyl)phenyl]carbamoyl}pyrrolidin-2-yl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(4-methylphenyl)-5-(1-{[2-(trifluoromethyl)phenyl]carbamoyl}pyrrolidin-2-yl)-134-thiadiazole-2-carboxamide

SMILES

Cc(cc1)ccc1NC(c1nnc(C(CCC2)N2C(Nc2c(C(F)(F)F)cccc2)=O)s1)=O

InChI

InChI=1S/C22H20F3N5O2S/c1-13-8-10-14(11-9-13)26-18(31)20-29-28-19(33-20)17-7-4-12-30(17)21(32)27-16-6-3-2-5-15(16)22(23,24)25/h2-3,5-6,8-11,17H,4,7,12H2,1H3,(H,26,31)(H,27,32)/t17-/m0/s1

InChI Key

TVQFZILYFOCDSW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27190390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.492

Distribution Coefficient, logD

4.492

Water Solubility, LogSw

-4.25

Polar Surface Area

71.393

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

F793-0457 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F793-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F793-0457?
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What is the minimum amount of F793-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F793-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F793-0457
  • 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 F793-0457 available by request