F793-0456 Screening compound: ethyl 2-{4-[(2-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-1-carbonyl)amino]phenyl}acetate

F793-0456 Screening compound: ethyl 2-{4-[(2-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-1-carbonyl)amino]phenyl}acetate
F793-0456 Screening compound: ethyl 2-{4-[(2-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-1-carbonyl)amino]phenyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F793-0456
ethyl 2-{4-[(2-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-1-carbonyl)amino]phenyl}acetate

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

F793-0456

Molecular Formula

C25H27N5O4S (C25 H27 N5 O4 S)

Compound Name

ethyl 2-{4-[(2-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-1-carbonyl)amino]phenyl}acetate

IUPAC name

ethyl 2-{4-[(2-{5-[(4-methylphenyl)carbamoyl]-134-thiadiazol-2-yl}pyrrolidine-1-carbonyl)amino]phenyl}acetate

SMILES

CCOC(Cc(cc1)ccc1NC(N(CCC1)C1c1nnc(C(Nc2ccc(C)cc2)=O)s1)=O)=O

InChI

InChI=1S/C25H27N5O4S/c1-3-34-21(31)15-17-8-12-19(13-9-17)27-25(33)30-14-4-5-20(30)23-28-29-24(35-23)22(32)26-18-10-6-16(2)7-11-18/h6-13,20H,3-5,14-15H2,1-2H3,(H,26,32)(H,27,33)/t20-/m0/s1

InChI Key

FYSWNTQIVCAQAQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27190389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.635

Distribution Coefficient, logD

3.635

Water Solubility, LogSw

-3.70

Polar Surface Area

92.250

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

F793-0456 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
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 F793-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F793-0456?
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What is the minimum amount of F793-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F793-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F793-0456
  • 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 F793-0456 available by request