P053-3100 Screening compound: 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-N-cyclopropyl-1,3-thiazole-2-carboxamide

P053-3100 Screening compound: 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-N-cyclopropyl-1,3-thiazole-2-carboxamide
P053-3100 Screening compound: 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-N-cyclopropyl-1,3-thiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P053-3100
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-N-cyclopropyl-1,3-thiazole-2-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

P053-3100

Molecular Formula

C19H21ClN4O2S (C19 H21 ClN4 O2 S)

Compound Name

4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-N-cyclopropyl-1,3-thiazole-2-carboxamide

IUPAC name

4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-N-cyclopropyl-13-thiazole-2-carboxamide

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(c1csc(C(NC2CC2)=O)n1)=O

InChI

InChI=1S/C19H21ClN4O2S/c1-12-2-3-13(20)10-16(12)23-6-8-24(9-7-23)19(26)15-11-27-18(22-15)17(25)21-14-4-5-14/h2-3,10-11,14H,4-9H2,1H3,(H,21,25)

InChI Key

YFBFPCHTDOAGTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22595717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.559

Distribution Coefficient, logD

3.559

Water Solubility, LogSw

-4.02

Polar Surface Area

54.321

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

P053-3100 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 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 P053-3100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P053-3100?
Check Price and Availability of P053-3100, 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 P053-3100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P053-3100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P053-3100
  • 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 P053-3100 available by request