D053-0365 Screening compound: 5-chloro-N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2-(ethanesulfonyl)pyrimidine-4-carboxamide

D053-0365 Screening compound: 5-chloro-N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2-(ethanesulfonyl)pyrimidine-4-carboxamide
D053-0365 Screening compound: 5-chloro-N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2-(ethanesulfonyl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D053-0365
5-chloro-N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2-(ethanesulfonyl)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

D053-0365

Molecular Formula

C18H18ClN5O6S2 (C18 H18 ClN5 O6 S2)

Compound Name

5-chloro-N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2-(ethanesulfonyl)pyrimidine-4-carboxamide

IUPAC name

5-chloro-N-{4-[(34-dimethyl-12-oxazol-5-yl)sulfamoyl]phenyl}-2-(ethanesulfonyl)pyrimidine-4-carboxamide

SMILES

CCS(c(nc1)nc(C(Nc(cc2)ccc2S(Nc2c(C)c(C)no2)(=O)=O)=O)c1Cl)(=O)=O

InChI

InChI=1S/C18H18ClN5O6S2/c1-4-31(26,27)18-20-9-14(19)15(22-18)16(25)21-12-5-7-13(8-6-12)32(28,29)24-17-10(2)11(3)23-30-17/h5-9,24H,4H2,1-3H3,(H,21,25)

InChI Key

ZAHRRFUMBKHPPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06648707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.96

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

2.089

Distribution Coefficient, logD

0.080

Water Solubility, LogSw

-2.97

Polar Surface Area

135.093

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D053-0365 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D053-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D053-0365?
Check Price and Availability of D053-0365, 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 D053-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D053-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D053-0365
  • 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 D053-0365 available by request