P053-2559 Screening compound: N-[(4-bromophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide

P053-2559 Screening compound: N-[(4-bromophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
P053-2559 Screening compound: N-[(4-bromophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P053-2559
N-[(4-bromophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-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

P053-2559

Molecular Formula

C16H16BrN3O2S (C16 H16 BrN3 O2 S)

Compound Name

N-[(4-bromophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide

IUPAC name

N-[(4-bromophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-13-thiazole-4-carboxamide

SMILES

O=C(c1csc(C(N2CCCC2)=O)n1)NCc(cc1)ccc1Br

InChI

InChI=1S/C16H16BrN3O2S/c17-12-5-3-11(4-6-12)9-18-14(21)13-10-23-15(19-13)16(22)20-7-1-2-8-20/h3-6,10H,1-2,7-9H2,(H,18,21)

InChI Key

ALXHEXLXWWZNEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22595714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.306

Distribution Coefficient, logD

3.306

Water Solubility, LogSw

-3.49

Polar Surface Area

51.672

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

P053-2559 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P053-2559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P053-2559?
Check Price and Availability of P053-2559, 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 P053-2559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P053-2559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P053-2559
  • 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 P053-2559 available by request