P053-3010 Screening compound: N-cyclopentyl-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1,3-thiazole-2-carboxamide

P053-3010 Screening compound: N-cyclopentyl-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1,3-thiazole-2-carboxamide
P053-3010 Screening compound: N-cyclopentyl-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1,3-thiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P053-3010
N-cyclopentyl-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-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

P053-3010

Molecular Formula

C18H22N6O2S (C18 H22 N6 O2 S)

Compound Name

N-cyclopentyl-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1,3-thiazole-2-carboxamide

IUPAC name

N-cyclopentyl-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-13-thiazole-2-carboxamide

SMILES

O=C(c1nc(C(N(CC2)CCN2c2ncccn2)=O)cs1)NC1CCCC1

InChI

InChI=1S/C18H22N6O2S/c25-15(21-13-4-1-2-5-13)16-22-14(12-27-16)17(26)23-8-10-24(11-9-23)18-19-6-3-7-20-18/h3,6-7,12-13H,1-2,4-5,8-11H2,(H,21,25)

InChI Key

ZKBHUULFGLNSTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27561094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.373

Distribution Coefficient, logD

2.373

Water Solubility, LogSw

-2.41

Polar Surface Area

73.019

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P053-3010 in Drug Discovery

Included in Screening Libraries

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

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with P053-3010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P053-3010?
Check Price and Availability of P053-3010, 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 P053-3010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P053-3010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P053-3010
  • 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 P053-3010 available by request