G364-0764 Screening compound: methyl 4-({2-[6-(3-methoxybenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)benzoate

G364-0764 Screening compound: methyl 4-({2-[6-(3-methoxybenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)benzoate
G364-0764 Screening compound: methyl 4-({2-[6-(3-methoxybenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G364-0764
methyl 4-({2-[6-(3-methoxybenzyl)-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

G364-0764

Molecular Formula

C21H25N3O6S (C21 H25 N3 O6 S)

Compound Name

methyl 4-({2-[6-(3-methoxybenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)benzoate

IUPAC name

methyl 4-(2-{6-[(3-methoxyphenyl)methyl]-11-dioxo-1lambda626-thiadiazinan-2-yl}acetamido)benzoate

SMILES

COC(c(cc1)ccc1NC(CN(CCCN1Cc2cc(OC)ccc2)S1(=O)=O)=O)=O

InChI

InChI=1S/C21H25N3O6S/c1-29-19-6-3-5-16(13-19)14-23-11-4-12-24(31(23,27)28)15-20(25)22-18-9-7-17(8-10-18)21(26)30-2/h3,5-10,13H,4,11-12,14-15H2,1-2H3,(H,22,25)

InChI Key

CTAHRTLVVGUJAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15003543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.585

Distribution Coefficient, logD

2.585

Water Solubility, LogSw

-3.04

Polar Surface Area

88.246

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G364-0764 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 G364-0764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G364-0764?
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What is the minimum amount of G364-0764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G364-0764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G364-0764
  • 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 G364-0764 available by request