P053-0521 Screening compound: N4-[(3,4-dimethoxyphenyl)methyl]-N2-ethyl-1,3-thiazole-2,4-dicarboxamide

P053-0521 Screening compound: N4-[(3,4-dimethoxyphenyl)methyl]-N2-ethyl-1,3-thiazole-2,4-dicarboxamide
P053-0521 Screening compound: N4-[(3,4-dimethoxyphenyl)methyl]-N2-ethyl-1,3-thiazole-2,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P053-0521
N4-[(3,4-dimethoxyphenyl)methyl]-N2-ethyl-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

P053-0521

Molecular Formula

C16H19N3O4S (C16 H19 N3 O4 S)

Compound Name

N4-[(3,4-dimethoxyphenyl)methyl]-N2-ethyl-1,3-thiazole-2,4-dicarboxamide

IUPAC name

N4-[(34-dimethoxyphenyl)methyl]-N2-ethyl-13-thiazole-24-dicarboxamide

SMILES

CCNC(c1nc(C(NCc(cc2)cc(OC)c2OC)=O)cs1)=O

InChI

InChI=1S/C16H19N3O4S/c1-4-17-15(21)16-19-11(9-24-16)14(20)18-8-10-5-6-12(22-2)13(7-10)23-3/h5-7,9H,4,8H2,1-3H3,(H,17,21)(H,18,20)

InChI Key

UQGNSJRLRYMBOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27561021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.427

Distribution Coefficient, logD

1.427

Water Solubility, LogSw

-2.48

Polar Surface Area

74.229

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

P053-0521 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 P053-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P053-0521?
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What is the minimum amount of P053-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P053-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P053-0521
  • 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 P053-0521 available by request