F793-0181 Screening compound: N-(4-chlorophenyl)-5-{1-[(2,5-dimethoxyphenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide

F793-0181 Screening compound: N-(4-chlorophenyl)-5-{1-[(2,5-dimethoxyphenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
F793-0181 Screening compound: N-(4-chlorophenyl)-5-{1-[(2,5-dimethoxyphenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F793-0181
N-(4-chlorophenyl)-5-{1-[(2,5-dimethoxyphenyl)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

F793-0181

Molecular Formula

C22H22ClN5O4S (C22 H22 ClN5 O4 S)

Compound Name

N-(4-chlorophenyl)-5-{1-[(2,5-dimethoxyphenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(4-chlorophenyl)-5-{1-[(25-dimethoxyphenyl)carbamoyl]pyrrolidin-2-yl}-134-thiadiazole-2-carboxamide

SMILES

COc(cc1)cc(NC(N(CCC2)C2c2nnc(C(Nc(cc3)ccc3Cl)=O)s2)=O)c1OC

InChI

InChI=1S/C22H22ClN5O4S/c1-31-15-9-10-18(32-2)16(12-15)25-22(30)28-11-3-4-17(28)20-26-27-21(33-20)19(29)24-14-7-5-13(23)6-8-14/h5-10,12,17H,3-4,11H2,1-2H3,(H,24,29)(H,25,30)/t17-/m0/s1

InChI Key

DMODQVQLOOTLQZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27190299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.831

Distribution Coefficient, logD

3.828

Water Solubility, LogSw

-4.55

Polar Surface Area

86.568

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

F793-0181 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F793-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F793-0181?
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What is the minimum amount of F793-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F793-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F793-0181
  • 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 F793-0181 available by request