G775-0454 Screening compound: methyl 3-({2-[6-(4-methoxybenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)-2-thiophenecarboxylate

G775-0454 Screening compound: methyl 3-({2-[6-(4-methoxybenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)-2-thiophenecarboxylate
G775-0454 Screening compound: methyl 3-({2-[6-(4-methoxybenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)-2-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G775-0454
methyl 3-({2-[6-(4-methoxybenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)-2-thiophenecarboxylate

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

G775-0454

Molecular Formula

C19H23N3O6S2 (C19 H23 N3 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

COC(c(scc1)c1NC(CN(CCCN1Cc(cc2)ccc2OC)S1(=O)=O)=O)=O

InChI

InChI=1S/C19H23N3O6S2/c1-27-15-6-4-14(5-7-15)12-21-9-3-10-22(30(21,25)26)13-17(23)20-16-8-11-29-18(16)19(24)28-2/h4-8,11H,3,9-10,12-13H2,1-2H3,(H,20,23)

InChI Key

XOFXGETUWDYPPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09981684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

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

1.839

Distribution Coefficient, logD

1.809

Water Solubility, LogSw

-2.59

Polar Surface Area

88.566

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

G775-0454 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 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 G775-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G775-0454?
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What is the minimum amount of G775-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G775-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G775-0454
  • 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 G775-0454 available by request