G364-0962 Screening compound: methyl 4-{[2-(6-benzyl-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl)acetyl]amino}benzoate

G364-0962 Screening compound: methyl 4-{[2-(6-benzyl-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl)acetyl]amino}benzoate
G364-0962 Screening compound: methyl 4-{[2-(6-benzyl-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl)acetyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G364-0962
methyl 4-{[2-(6-benzyl-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

G364-0962

Molecular Formula

C20H23N3O5S (C20 H23 N3 O5 S)

Compound Name

methyl 4-{[2-(6-benzyl-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl)acetyl]amino}benzoate

IUPAC name

methyl 4-[2-(6-benzyl-11-dioxo-1lambda626-thiadiazinan-2-yl)acetamido]benzoate

SMILES

COC(c(cc1)ccc1NC(CN(CCCN1Cc2ccccc2)S1(=O)=O)=O)=O

InChI

InChI=1S/C20H23N3O5S/c1-28-20(25)17-8-10-18(11-9-17)21-19(24)15-23-13-5-12-22(29(23,26)27)14-16-6-3-2-4-7-16/h2-4,6-11H,5,12-15H2,1H3,(H,21,24)

InChI Key

PJKHJOUGJOMGKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15003558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.49

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

2.529

Distribution Coefficient, logD

2.529

Water Solubility, LogSw

-2.90

Polar Surface Area

80.702

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

G364-0962 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 G364-0962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G364-0962?
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What is the minimum amount of G364-0962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G364-0962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G364-0962
  • 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 G364-0962 available by request