P497-0444 Screening compound: 4-methyl-N-(2-methylpropyl)-2-[({[4-(trifluoromethyl)phenyl]methyl}carbamoyl)methyl]-1,3-thiazole-5-carboxamide

P497-0444 Screening compound: 4-methyl-N-(2-methylpropyl)-2-[({[4-(trifluoromethyl)phenyl]methyl}carbamoyl)methyl]-1,3-thiazole-5-carboxamide
P497-0444 Screening compound: 4-methyl-N-(2-methylpropyl)-2-[({[4-(trifluoromethyl)phenyl]methyl}carbamoyl)methyl]-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P497-0444
4-methyl-N-(2-methylpropyl)-2-[({[4-(trifluoromethyl)phenyl]methyl}carbamoyl)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

P497-0444

Molecular Formula

C19H22F3N3O2S (C19 H22 F3 N3 O2 S)

Compound Name

4-methyl-N-(2-methylpropyl)-2-[({[4-(trifluoromethyl)phenyl]methyl}carbamoyl)methyl]-1,3-thiazole-5-carboxamide

IUPAC name

4-methyl-N-(2-methylpropyl)-2-[({[4-(trifluoromethyl)phenyl]methyl}carbamoyl)methyl]-13-thiazole-5-carboxamide

SMILES

CC(C)CNC(c1c(C)nc(CC(NCc2ccc(C(F)(F)F)cc2)=O)s1)=O

InChI

InChI=1S/C19H22F3N3O2S/c1-11(2)9-24-18(27)17-12(3)25-16(28-17)8-15(26)23-10-13-4-6-14(7-5-13)19(20,21)22/h4-7,11H,8-10H2,1-3H3,(H,23,26)(H,24,27)

InChI Key

LCDAONDENYXSAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27576364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.566

Distribution Coefficient, logD

3.566

Water Solubility, LogSw

-3.84

Polar Surface Area

60.201

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

P497-0444 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P497-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P497-0444?
Check Price and Availability of P497-0444, 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 P497-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P497-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P497-0444
  • 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 P497-0444 available by request