L802-0800 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1,5-dimethyl-1H-pyrrol-2-yl)-1,3-thiazole-4-carboxamide

L802-0800 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1,5-dimethyl-1H-pyrrol-2-yl)-1,3-thiazole-4-carboxamide
L802-0800 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1,5-dimethyl-1H-pyrrol-2-yl)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L802-0800
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1,5-dimethyl-1H-pyrrol-2-yl)-1,3-thiazole-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

L802-0800

Molecular Formula

C17H13ClF3N3OS (C17 H13 ClF3 N3 OS)

Compound Name

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

IUPAC name

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(15-dimethyl-1H-pyrrol-2-yl)-13-thiazole-4-carboxamide

SMILES

Cc1ccc(-c2nc(C(Nc(cc3)cc(C(F)(F)F)c3Cl)=O)cs2)n1C

InChI

InChI=1S/C17H13ClF3N3OS/c1-9-3-6-14(24(9)2)16-23-13(8-26-16)15(25)22-10-4-5-12(18)11(7-10)17(19,20)21/h3-8H,1-2H3,(H,22,25)

InChI Key

FDWWEGDGVFLDGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27476130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.82

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.285

Distribution Coefficient, logD

5.235

Water Solubility, LogSw

-5.78

Polar Surface Area

35.320

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

L802-0800 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with L802-0800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L802-0800?
Check Price and Availability of L802-0800, 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 L802-0800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L802-0800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L802-0800
  • 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 L802-0800 available by request