F794-1042 Screening compound: 5-[1-(4-acetylbenzenesulfonyl)pyrrolidin-2-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide

F794-1042 Screening compound: 5-[1-(4-acetylbenzenesulfonyl)pyrrolidin-2-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
F794-1042 Screening compound: 5-[1-(4-acetylbenzenesulfonyl)pyrrolidin-2-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F794-1042
5-[1-(4-acetylbenzenesulfonyl)pyrrolidin-2-yl]-N-(2,4-difluorophenyl)-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

F794-1042

Molecular Formula

C21H18F2N4O4S2 (C21 H18 F2 N4 O4 S2)

Compound Name

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

IUPAC name

5-[1-(4-acetylbenzenesulfonyl)pyrrolidin-2-yl]-N-(24-difluorophenyl)-134-thiadiazole-2-carboxamide

SMILES

CC(c(cc1)ccc1S(N(CCC1)C1c1nnc(C(Nc(ccc(F)c2)c2F)=O)s1)(=O)=O)=O

InChI

InChI=1S/C21H18F2N4O4S2/c1-12(28)13-4-7-15(8-5-13)33(30,31)27-10-2-3-18(27)20-25-26-21(32-20)19(29)24-17-9-6-14(22)11-16(17)23/h4-9,11,18H,2-3,10H2,1H3,(H,24,29)/t18-/m0/s1

InChI Key

HBMJTKZGDLOWQD-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27190770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.685

Distribution Coefficient, logD

2.460

Water Solubility, LogSw

-3.23

Polar Surface Area

92.239

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

F794-1042 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 F794-1042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F794-1042?
Check Price and Availability of F794-1042, 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 F794-1042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F794-1042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F794-1042
  • 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 F794-1042 available by request