C857-0140 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C857-0140 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
C857-0140 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C857-0140
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-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

C857-0140

Molecular Formula

C19H17ClF3N5OS (C19 H17 ClF3 N5 OS)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[5-(1H-pyrrol-1-yl)-134-thiadiazol-2-yl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c1nnc(-n2cccc2)s1)Nc(cc(C(F)(F)F)cc1)c1Cl

InChI

InChI=1S/C19H17ClF3N5OS/c20-14-4-3-13(19(21,22)23)11-15(14)24-16(29)12-5-9-28(10-6-12)18-26-25-17(30-18)27-7-1-2-8-27/h1-4,7-8,11-12H,5-6,9-10H2,(H,24,29)

InChI Key

DSUFWHOYWGRQBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.747

Distribution Coefficient, logD

4.597

Water Solubility, LogSw

-5.04

Polar Surface Area

53.204

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

10.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C857-0140 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C857-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C857-0140?
Check Price and Availability of C857-0140, 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 C857-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C857-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C857-0140
  • 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 C857-0140 available by request