P053-0022 Screening compound: N4-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide

P053-0022 Screening compound: N4-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide
P053-0022 Screening compound: N4-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P053-0022
N4-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide

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

P053-0022

Molecular Formula

C13H13N3O3S (C13 H13 N3 O3 S)

Compound Name

N4-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide

IUPAC name

N4-[(4-methoxyphenyl)methyl]-13-thiazole-24-dicarboxamide

SMILES

COc1ccc(CNC(c2csc(C(N)=O)n2)=O)cc1

InChI

InChI=1S/C13H13N3O3S/c1-19-9-4-2-8(3-5-9)6-15-12(18)10-7-20-13(16-10)11(14)17/h2-5,7H,6H2,1H3,(H2,14,17)(H,15,18)

InChI Key

TYXFBHJFDPEMCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.189

Distribution Coefficient, logD

1.189

Water Solubility, LogSw

-2.17

Polar Surface Area

76.260

Acid Dissociation Constant (pKa)

12.41

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

P053-0022 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with P053-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P053-0022?
Check Price and Availability of P053-0022, 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 P053-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P053-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P053-0022
  • 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 P053-0022 available by request