F794-0043 Screening compound: 5-[1-(4-ethylbenzenesulfonyl)pyrrolidin-2-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

F794-0043 Screening compound: 5-[1-(4-ethylbenzenesulfonyl)pyrrolidin-2-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
F794-0043 Screening compound: 5-[1-(4-ethylbenzenesulfonyl)pyrrolidin-2-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F794-0043
5-[1-(4-ethylbenzenesulfonyl)pyrrolidin-2-yl]-N-(3-fluorophenyl)-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

F794-0043

Molecular Formula

C21H21FN4O3S2 (C21 H21 FN4 O3 S2)

Compound Name

5-[1-(4-ethylbenzenesulfonyl)pyrrolidin-2-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-[1-(4-ethylbenzenesulfonyl)pyrrolidin-2-yl]-N-(3-fluorophenyl)-134-thiadiazole-2-carboxamide

SMILES

CCc(cc1)ccc1S(N(CCC1)C1c1nnc(C(Nc2cc(F)ccc2)=O)s1)(=O)=O

InChI

InChI=1S/C21H21FN4O3S2/c1-2-14-8-10-17(11-9-14)31(28,29)26-12-4-7-18(26)20-24-25-21(30-20)19(27)23-16-6-3-5-15(22)13-16/h3,5-6,8-11,13,18H,2,4,7,12H2,1H3,(H,23,27)/t18-/m0/s1

InChI Key

HTYIBIWPTGXRTP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27190556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.113

Distribution Coefficient, logD

4.109

Water Solubility, LogSw

-4.06

Polar Surface Area

79.110

Acid Dissociation Constant (pKa)

9.37

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

F794-0043 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F794-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F794-0043?
Check Price and Availability of F794-0043, 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 F794-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F794-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F794-0043
  • 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 F794-0043 available by request