P053-0493 Screening compound: N2-ethyl-N4-(3-methylbutyl)-1,3-thiazole-2,4-dicarboxamide

P053-0493 Screening compound: N2-ethyl-N4-(3-methylbutyl)-1,3-thiazole-2,4-dicarboxamide
P053-0493 Screening compound: N2-ethyl-N4-(3-methylbutyl)-1,3-thiazole-2,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P053-0493
N2-ethyl-N4-(3-methylbutyl)-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

P053-0493

Molecular Formula

C12H19N3O2S (C12 H19 N3 O2 S)

Compound Name

N2-ethyl-N4-(3-methylbutyl)-1,3-thiazole-2,4-dicarboxamide

IUPAC name

N2-ethyl-N4-(3-methylbutyl)-13-thiazole-24-dicarboxamide

SMILES

CCNC(c1nc(C(NCCC(C)C)=O)cs1)=O

InChI

InChI=1S/C12H19N3O2S/c1-4-13-11(17)12-15-9(7-18-12)10(16)14-6-5-8(2)3/h7-8H,4-6H2,1-3H3,(H,13,17)(H,14,16)

InChI Key

GVBKEVCEQKYIHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27561013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.838

Distribution Coefficient, logD

1.838

Water Solubility, LogSw

-2.24

Polar Surface Area

59.081

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

P053-0493 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with P053-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P053-0493?
Check Price and Availability of P053-0493, 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 P053-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P053-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P053-0493
  • 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 P053-0493 available by request