C274-8108 Screening compound: 6-methyl-5-[(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}piperidin-1-yl)sulfonyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

C274-8108 Screening compound: 6-methyl-5-[(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}piperidin-1-yl)sulfonyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
C274-8108 Screening compound: 6-methyl-5-[(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}piperidin-1-yl)sulfonyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C274-8108
6-methyl-5-[(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}piperidin-1-yl)sulfonyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

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

C274-8108

Molecular Formula

C22H26F3N5O5S (C22 H26 F3 N5 O5 S)

Compound Name

6-methyl-5-[(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}piperidin-1-yl)sulfonyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

6-methyl-5-[(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}piperidin-1-yl)sulfonyl]-1234-tetrahydropyrimidine-24-dione

SMILES

CC(NC(NC1=O)=O)=C1S(N(CCC1)CC1C(N(CC1)CCN1c1cc(C(F)(F)F)ccc1)=O)(=O)=O

InChI

InChI=1S/C22H26F3N5O5S/c1-14-18(19(31)27-21(33)26-14)36(34,35)30-7-3-4-15(13-30)20(32)29-10-8-28(9-11-29)17-6-2-5-16(12-17)22(23,24)25/h2,5-6,12,15H,3-4,7-11,13H2,1H3,(H2,26,27,31,33)/t15-/m0/s1

InChI Key

DDNMXKBTBPHGTI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14740478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.078

Distribution Coefficient, logD

-1.690

Water Solubility, LogSw

-2.52

Polar Surface Area

100.326

Acid Dissociation Constant (pKa)

4.63

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C274-8108 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
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 C274-8108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C274-8108?
Check Price and Availability of C274-8108, 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 C274-8108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C274-8108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C274-8108
  • 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 C274-8108 available by request