F793-1208 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(3-chloro-4-methylphenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide

F793-1208 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(3-chloro-4-methylphenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
F793-1208 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(3-chloro-4-methylphenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F793-1208
N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(3-chloro-4-methylphenyl)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

F793-1208

Molecular Formula

C22H20ClN5O4S (C22 H20 ClN5 O4 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(3-chloro-4-methylphenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-5-{1-[(3-chloro-4-methylphenyl)carbamoyl]pyrrolidin-2-yl}-134-thiadiazole-2-carboxamide

SMILES

Cc(ccc(NC(N(CCC1)C1c1nnc(C(Nc(cc2)cc3c2OCO3)=O)s1)=O)c1)c1Cl

InChI

InChI=1S/C22H20ClN5O4S/c1-12-4-5-13(9-15(12)23)25-22(30)28-8-2-3-16(28)20-26-27-21(33-20)19(29)24-14-6-7-17-18(10-14)32-11-31-17/h4-7,9-10,16H,2-3,8,11H2,1H3,(H,24,29)(H,25,30)/t16-/m0/s1

InChI Key

ZPWTXQJZALRKHA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27190459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.380

Distribution Coefficient, logD

4.379

Water Solubility, LogSw

-4.58

Polar Surface Area

89.207

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with F793-1208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F793-1208?
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What is the minimum amount of F793-1208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F793-1208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F793-1208
  • 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 F793-1208 available by request