D054-0303 Screening compound: 5-chloro-2-(ethylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide

D054-0303 Screening compound: 5-chloro-2-(ethylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
D054-0303 Screening compound: 5-chloro-2-(ethylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D054-0303
5-chloro-2-(ethylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]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

D054-0303

Molecular Formula

C15H17ClN4O3S2 (C15 H17 ClN4 O3 S2)

Compound Name

5-chloro-2-(ethylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide

IUPAC name

5-chloro-2-(ethylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide

SMILES

CCSc(nc1)nc(C(NCCc(cc2)ccc2S(N)(=O)=O)=O)c1Cl

InChI

InChI=1S/C15H17ClN4O3S2/c1-2-24-15-19-9-12(16)13(20-15)14(21)18-8-7-10-3-5-11(6-4-10)25(17,22)23/h3-6,9H,2,7-8H2,1H3,(H,18,21)(H2,17,22,23)

InChI Key

QAGBSYKALIZQEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.91

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.623

Distribution Coefficient, logD

1.623

Water Solubility, LogSw

-2.71

Polar Surface Area

93.682

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D054-0303 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D054-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D054-0303?
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What is the minimum amount of D054-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D054-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D054-0303
  • 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 D054-0303 available by request