D053-0364 Screening compound: 5-chloro-2-(ethanesulfonyl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}pyrimidine-4-carboxamide

D053-0364 Screening compound: 5-chloro-2-(ethanesulfonyl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}pyrimidine-4-carboxamide
D053-0364 Screening compound: 5-chloro-2-(ethanesulfonyl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D053-0364
5-chloro-2-(ethanesulfonyl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}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

D053-0364

Molecular Formula

C18H17ClN6O5S2 (C18 H17 ClN6 O5 S2)

Compound Name

5-chloro-2-(ethanesulfonyl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}pyrimidine-4-carboxamide

IUPAC name

5-chloro-2-(ethanesulfonyl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}pyrimidine-4-carboxamide

SMILES

CCS(c(nc1)nc(C(Nc(cc2)ccc2S(Nc2nc(C)ccn2)(=O)=O)=O)c1Cl)(=O)=O

InChI

InChI=1S/C18H17ClN6O5S2/c1-3-31(27,28)18-21-10-14(19)15(24-18)16(26)23-12-4-6-13(7-5-12)32(29,30)25-17-20-9-8-11(2)22-17/h4-10H,3H2,1-2H3,(H,23,26)(H,20,22,25)

InChI Key

ZEMOLIFWVRTMMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06648708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.96

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.616

Distribution Coefficient, logD

1.000

Water Solubility, LogSw

-2.85

Polar Surface Area

132.372

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D053-0364 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D053-0364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D053-0364?
Check Price and Availability of D053-0364, 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 D053-0364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D053-0364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D053-0364
  • 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 D053-0364 available by request