F794-0865 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-[1-(4-methylbenzenesulfonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide

F794-0865 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-[1-(4-methylbenzenesulfonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
F794-0865 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-[1-(4-methylbenzenesulfonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F794-0865
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(4-methylbenzenesulfonyl)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

F794-0865

Molecular Formula

C21H20N4O5S2 (C21 H20 N4 O5 S2)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-5-[1-(4-methylbenzenesulfonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-5-[1-(4-methylbenzenesulfonyl)pyrrolidin-2-yl]-134-thiadiazole-2-carboxamide

SMILES

Cc(cc1)ccc1S(N(CCC1)C1c1nnc(C(Nc(cc2)cc3c2OCO3)=O)s1)(=O)=O

InChI

InChI=1S/C21H20N4O5S2/c1-13-4-7-15(8-5-13)32(27,28)25-10-2-3-16(25)20-23-24-21(31-20)19(26)22-14-6-9-17-18(11-14)30-12-29-17/h4-9,11,16H,2-3,10,12H2,1H3,(H,22,26)/t16-/m0/s1

InChI Key

VGROMYBCOKGOOZ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27190679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.286

Distribution Coefficient, logD

3.284

Water Solubility, LogSw

-3.56

Polar Surface Area

96.225

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

F794-0865 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 F794-0865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F794-0865?
Check Price and Availability of F794-0865, 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 F794-0865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F794-0865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F794-0865
  • 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 F794-0865 available by request