D053-0391 Screening compound: N-benzyl-5-chloro-2-(ethanesulfonyl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide

D053-0391 Screening compound: N-benzyl-5-chloro-2-(ethanesulfonyl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
D053-0391 Screening compound: N-benzyl-5-chloro-2-(ethanesulfonyl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D053-0391
N-benzyl-5-chloro-2-(ethanesulfonyl)-N-(4-methoxyphenyl)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

D053-0391

Molecular Formula

C21H20ClN3O4S (C21 H20 ClN3 O4 S)

Compound Name

N-benzyl-5-chloro-2-(ethanesulfonyl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide

IUPAC name

N-benzyl-5-chloro-2-(ethanesulfonyl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide

SMILES

CCS(c(nc1)nc(C(N(Cc2ccccc2)c(cc2)ccc2OC)=O)c1Cl)(=O)=O

InChI

InChI=1S/C21H20ClN3O4S/c1-3-30(27,28)21-23-13-18(22)19(24-21)20(26)25(14-15-7-5-4-6-8-15)16-9-11-17(29-2)12-10-16/h4-13H,3,14H2,1-2H3

InChI Key

GWERYNSRNNVXES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06649260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.937

Distribution Coefficient, logD

3.937

Water Solubility, LogSw

-4.21

Polar Surface Area

71.583

Acid Dissociation Constant (pKa)

21.54

Base Dissociation Constant (pKb)

-5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D053-0391 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with D053-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D053-0391?
Check Price and Availability of D053-0391, 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 D053-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D053-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D053-0391
  • 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 D053-0391 available by request