F793-0015 Screening compound: 5-{1-[(2-chloro-4-methylphenyl)carbamoyl]pyrrolidin-2-yl}-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

F793-0015 Screening compound: 5-{1-[(2-chloro-4-methylphenyl)carbamoyl]pyrrolidin-2-yl}-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
F793-0015 Screening compound: 5-{1-[(2-chloro-4-methylphenyl)carbamoyl]pyrrolidin-2-yl}-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F793-0015
5-{1-[(2-chloro-4-methylphenyl)carbamoyl]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

F793-0015

Molecular Formula

C21H19ClFN5O2S (C21 H19 ClFN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(Cl)c1NC(N(CCC1)C1c1nnc(C(Nc2cc(F)ccc2)=O)s1)=O

InChI

InChI=1S/C21H19ClFN5O2S/c1-12-7-8-16(15(22)10-12)25-21(30)28-9-3-6-17(28)19-26-27-20(31-19)18(29)24-14-5-2-4-13(23)11-14/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,24,29)(H,25,30)/t17-/m0/s1

InChI Key

WXTUXRAOCQAOKQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27190256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.430

Distribution Coefficient, logD

4.427

Water Solubility, LogSw

-4.46

Polar Surface Area

71.393

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.81

F793-0015 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F793-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F793-0015?
Check Price and Availability of F793-0015, 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 F793-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F793-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F793-0015
  • 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 F793-0015 available by request