G364-0331 Screening compound: N~1~-(5-chloro-2,4-dimethoxyphenyl)-2-[6-(3-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide

G364-0331 Screening compound: N~1~-(5-chloro-2,4-dimethoxyphenyl)-2-[6-(3-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide
G364-0331 Screening compound: N~1~-(5-chloro-2,4-dimethoxyphenyl)-2-[6-(3-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G364-0331
N~1~-(5-chloro-2,4-dimethoxyphenyl)-2-[6-(3-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]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

G364-0331

Molecular Formula

C20H23ClFN3O5S (C20 H23 ClFN3 O5 S)

Compound Name

N~1~-(5-chloro-2,4-dimethoxyphenyl)-2-[6-(3-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide

IUPAC name

N-(5-chloro-24-dimethoxyphenyl)-2-{6-[(3-fluorophenyl)methyl]-11-dioxo-1lambda626-thiadiazinan-2-yl}acetamide

SMILES

COc(c(NC(CN(CCCN1Cc2cc(F)ccc2)S1(=O)=O)=O)c1)cc(OC)c1Cl

InChI

InChI=1S/C20H23ClFN3O5S/c1-29-18-11-19(30-2)17(10-16(18)21)23-20(26)13-25-8-4-7-24(31(25,27)28)12-14-5-3-6-15(22)9-14/h3,5-6,9-11H,4,7-8,12-13H2,1-2H3,(H,23,26)

InChI Key

HHUVBODYZGOOHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15003498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.94

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.860

Distribution Coefficient, logD

2.852

Water Solubility, LogSw

-3.47

Polar Surface Area

74.091

Acid Dissociation Constant (pKa)

9.13

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

G364-0331 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 G364-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G364-0331?
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What is the minimum amount of G364-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G364-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G364-0331
  • 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 G364-0331 available by request