D075-0140 Screening compound: N-benzyl-5-chloro-2-(methylsulfanyl)-N-(pyridin-2-yl)pyrimidine-4-carboxamide

D075-0140 Screening compound: N-benzyl-5-chloro-2-(methylsulfanyl)-N-(pyridin-2-yl)pyrimidine-4-carboxamide
D075-0140 Screening compound: N-benzyl-5-chloro-2-(methylsulfanyl)-N-(pyridin-2-yl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D075-0140
N-benzyl-5-chloro-2-(methylsulfanyl)-N-(pyridin-2-yl)pyrimidine-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

D075-0140

Molecular Formula

C18H15ClN4OS (C18 H15 ClN4 OS)

Compound Name

N-benzyl-5-chloro-2-(methylsulfanyl)-N-(pyridin-2-yl)pyrimidine-4-carboxamide

IUPAC name

N-benzyl-5-chloro-2-(methylsulfanyl)-N-(pyridin-2-yl)pyrimidine-4-carboxamide

SMILES

CSc(nc1)nc(C(N(Cc2ccccc2)c2ncccc2)=O)c1Cl

InChI

InChI=1S/C18H15ClN4OS/c1-25-18-21-11-14(19)16(22-18)17(24)23(15-9-5-6-10-20-15)12-13-7-3-2-4-8-13/h2-11H,12H2,1H3

InChI Key

SEFUCZLMMURZNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06630212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.359

Distribution Coefficient, logD

4.359

Water Solubility, LogSw

-4.38

Polar Surface Area

42.686

Acid Dissociation Constant (pKa)

22.81

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D075-0140 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D075-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D075-0140?
Check Price and Availability of D075-0140, 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 D075-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D075-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D075-0140
  • 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 D075-0140 available by request