F793-1454 Screening compound: N-(3,4-difluorophenyl)-5-{1-[(2-phenylethyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide

F793-1454 Screening compound: N-(3,4-difluorophenyl)-5-{1-[(2-phenylethyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
F793-1454 Screening compound: N-(3,4-difluorophenyl)-5-{1-[(2-phenylethyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F793-1454
N-(3,4-difluorophenyl)-5-{1-[(2-phenylethyl)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

F793-1454

Molecular Formula

C22H21F2N5O2S (C22 H21 F2 N5 O2 S)

Compound Name

N-(3,4-difluorophenyl)-5-{1-[(2-phenylethyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(34-difluorophenyl)-5-{1-[(2-phenylethyl)carbamoyl]pyrrolidin-2-yl}-134-thiadiazole-2-carboxamide

SMILES

O=C(c1nnc(C(CCC2)N2C(NCCc2ccccc2)=O)s1)Nc(cc1)cc(F)c1F

InChI

InChI=1S/C22H21F2N5O2S/c23-16-9-8-15(13-17(16)24)26-19(30)21-28-27-20(32-21)18-7-4-12-29(18)22(31)25-11-10-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,18H,4,7,10-12H2,(H,25,31)(H,26,30)/t18-/m0/s1

InChI Key

NHIVQXLCTUJJHS-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27190494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.692

Distribution Coefficient, logD

3.524

Water Solubility, LogSw

-4.05

Polar Surface Area

73.255

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

F793-1454 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F793-1454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F793-1454?
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What is the minimum amount of F793-1454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F793-1454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F793-1454
  • 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 F793-1454 available by request