D053-0417 Screening compound: 5-chloro-2-(propane-1-sulfonyl)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}pyrimidine-4-carboxamide

D053-0417 Screening compound: 5-chloro-2-(propane-1-sulfonyl)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}pyrimidine-4-carboxamide
D053-0417 Screening compound: 5-chloro-2-(propane-1-sulfonyl)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D053-0417
5-chloro-2-(propane-1-sulfonyl)-N-{4-[(pyrimidin-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

D053-0417

Molecular Formula

C18H17ClN6O5S2 (C18 H17 ClN6 O5 S2)

Compound Name

5-chloro-2-(propane-1-sulfonyl)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}pyrimidine-4-carboxamide

IUPAC name

5-chloro-2-(propane-1-sulfonyl)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}pyrimidine-4-carboxamide

SMILES

CCCS(c(nc1)nc(C(Nc(cc2)ccc2S(Nc2ncccn2)(=O)=O)=O)c1Cl)(=O)=O

InChI

InChI=1S/C18H17ClN6O5S2/c1-2-10-31(27,28)18-22-11-14(19)15(24-18)16(26)23-12-4-6-13(7-5-12)32(29,30)25-17-20-8-3-9-21-17/h3-9,11H,2,10H2,1H3,(H,23,26)(H,20,21,25)

InChI Key

QNXUZTZJXCEEKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06648550

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

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.480

Distribution Coefficient, logD

0.724

Water Solubility, LogSw

-2.83

Polar Surface Area

132.998

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D053-0417 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 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
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D053-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D053-0417?
Check Price and Availability of D053-0417, 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 D053-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D053-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D053-0417
  • 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 D053-0417 available by request