G775-0250 Screening compound: 2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-[4-chloro-2-(trifluoromethyl)phenyl]acetamide

G775-0250 Screening compound: 2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
G775-0250 Screening compound: 2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-[4-chloro-2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G775-0250
2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-[4-chloro-2-(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

G775-0250

Molecular Formula

C19H18Cl2F3N3O3S (C19 H18 Cl2 F3 N3 O3 S)

Compound Name

2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-[4-chloro-2-(trifluoromethyl)phenyl]acetamide

IUPAC name

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{6-[(4-chlorophenyl)methyl]-11-dioxo-1lambda626-thiadiazinan-2-yl}acetamide

SMILES

O=C(CN(CCCN1Cc(cc2)ccc2Cl)S1(=O)=O)Nc(cc1)c(C(F)(F)F)cc1Cl

InChI

InChI=1S/C19H18Cl2F3N3O3S/c20-14-4-2-13(3-5-14)11-26-8-1-9-27(31(26,29)30)12-18(28)25-17-7-6-15(21)10-16(17)19(22,23)24/h2-7,10H,1,8-9,11-12H2,(H,25,28)

InChI Key

MALIYCAXPDGUQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27157589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.338

Distribution Coefficient, logD

4.338

Water Solubility, LogSw

-4.62

Polar Surface Area

58.830

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G775-0250 in Drug Discovery

Included in Screening Libraries

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

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 G775-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G775-0250?
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What is the minimum amount of G775-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G775-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G775-0250
  • 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 G775-0250 available by request