G775-0366 Screening compound: methyl 2-({2-[6-(2-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)benzoate

G775-0366 Screening compound: methyl 2-({2-[6-(2-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)benzoate
G775-0366 Screening compound: methyl 2-({2-[6-(2-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G775-0366
methyl 2-({2-[6-(2-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)benzoate

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

G775-0366

Molecular Formula

C20H22FN3O5S (C20 H22 FN3 O5 S)

Compound Name

methyl 2-({2-[6-(2-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)benzoate

IUPAC name

methyl 2-(2-{6-[(2-fluorophenyl)methyl]-11-dioxo-1lambda626-thiadiazinan-2-yl}acetamido)benzoate

SMILES

COC(c(cccc1)c1NC(CN(CCCN1Cc(cccc2)c2F)S1(=O)=O)=O)=O

InChI

InChI=1S/C20H22FN3O5S/c1-29-20(26)16-8-3-5-10-18(16)22-19(25)14-24-12-6-11-23(30(24,27)28)13-15-7-2-4-9-17(15)21/h2-5,7-10H,6,11-14H2,1H3,(H,22,25)

InChI Key

AZDULJYBZJBWHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09981097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.436

Distribution Coefficient, logD

2.421

Water Solubility, LogSw

-3.07

Polar Surface Area

80.004

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

G775-0366 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 G775-0366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G775-0366?
Check Price and Availability of G775-0366, 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 G775-0366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G775-0366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G775-0366
  • 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 G775-0366 available by request