M057-2088 Screening compound: 4-ethyl-2-(1H-pyrrol-1-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazole-5-carboxamide

M057-2088 Screening compound: 4-ethyl-2-(1H-pyrrol-1-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazole-5-carboxamide
M057-2088 Screening compound: 4-ethyl-2-(1H-pyrrol-1-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M057-2088
4-ethyl-2-(1H-pyrrol-1-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazole-5-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

M057-2088

Molecular Formula

C18H16F3N3OS (C18 H16 F3 N3 OS)

Compound Name

4-ethyl-2-(1H-pyrrol-1-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazole-5-carboxamide

IUPAC name

4-ethyl-2-(1H-pyrrol-1-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-13-thiazole-5-carboxamide

SMILES

CCc1c(C(NCc2cc(C(F)(F)F)ccc2)=O)sc(-n2cccc2)n1

InChI

InChI=1S/C18H16F3N3OS/c1-2-14-15(26-17(23-14)24-8-3-4-9-24)16(25)22-11-12-6-5-7-13(10-12)18(19,20)21/h3-10H,2,11H2,1H3,(H,22,25)

InChI Key

CVGVGUOHHQFDPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.729

Distribution Coefficient, logD

4.721

Water Solubility, LogSw

-4.58

Polar Surface Area

39.724

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

M057-2088 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with M057-2088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M057-2088?
Check Price and Availability of M057-2088, 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 M057-2088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M057-2088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M057-2088
  • 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 M057-2088 available by request