C548-1327 Screening compound: 2-[N-(3,5-dimethylphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]-N-[4-(trifluoromethyl)phenyl]acetamide

C548-1327 Screening compound: 2-[N-(3,5-dimethylphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]-N-[4-(trifluoromethyl)phenyl]acetamide
C548-1327 Screening compound: 2-[N-(3,5-dimethylphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]-N-[4-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-1327
2-[N-(3,5-dimethylphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]-N-[4-(trifluoromethyl)phenyl]acetamide

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

C548-1327

Molecular Formula

C22H21F3N4O5S (C22 H21 F3 N4 O5 S)

Compound Name

2-[N-(3,5-dimethylphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]-N-[4-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[N-(35-dimethylphenyl)6-methyl-24-dioxo-1234-tetrahydropyrimidine-5-sulfonamido]-N-[4-(trifluoromethyl)phenyl]acetamide

SMILES

Cc1cc(N(CC(Nc2ccc(C(F)(F)F)cc2)=O)S(C(C(N2)=O)=C(C)NC2=O)(=O)=O)cc(C)c1

InChI

InChI=1S/C22H21F3N4O5S/c1-12-8-13(2)10-17(9-12)29(35(33,34)19-14(3)26-21(32)28-20(19)31)11-18(30)27-16-6-4-15(5-7-16)22(23,24)25/h4-10H,11H2,1-3H3,(H,27,30)(H2,26,28,31,32)

InChI Key

JNLTTXGWMOENEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.375

Distribution Coefficient, logD

0.906

Water Solubility, LogSw

-3.81

Polar Surface Area

103.476

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C548-1327 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C548-1327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-1327?
Check Price and Availability of C548-1327, 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 C548-1327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-1327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-1327
  • 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 C548-1327 available by request