P498-0540 Screening compound: N-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide

P498-0540 Screening compound: N-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide
P498-0540 Screening compound: N-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P498-0540
N-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-1,2-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

P498-0540

Molecular Formula

C17H12F2N2O2S (C17 H12 F2 N2 O2 S)

Compound Name

N-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide

IUPAC name

N-(35-difluorophenyl)-3-(4-methoxyphenyl)-12-thiazole-5-carboxamide

SMILES

COc(cc1)ccc1-c1nsc(C(Nc2cc(F)cc(F)c2)=O)c1

InChI

InChI=1S/C17H12F2N2O2S/c1-23-14-4-2-10(3-5-14)15-9-16(24-21-15)17(22)20-13-7-11(18)6-12(19)8-13/h2-9H,1H3,(H,20,22)

InChI Key

WHZUCKJXROYRBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27576595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.995

Distribution Coefficient, logD

4.938

Water Solubility, LogSw

-4.70

Polar Surface Area

41.093

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

P498-0540 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 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 P498-0540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P498-0540?
Check Price and Availability of P498-0540, 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 P498-0540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P498-0540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P498-0540
  • 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 P498-0540 available by request