G775-0589 Screening compound: 2-[6-(3-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-(4-isopropylphenyl)acetamide

G775-0589 Screening compound: 2-[6-(3-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-(4-isopropylphenyl)acetamide
G775-0589 Screening compound: 2-[6-(3-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-(4-isopropylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G775-0589
2-[6-(3-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-(4-isopropylphenyl)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

G775-0589

Molecular Formula

C21H26FN3O3S (C21 H26 FN3 O3 S)

Compound Name

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

IUPAC name

2-{6-[(3-fluorophenyl)methyl]-11-dioxo-1lambda626-thiadiazinan-2-yl}-N-[4-(propan-2-yl)phenyl]acetamide

SMILES

CC(C)c(cc1)ccc1NC(CN(CCCN1Cc2cc(F)ccc2)S1(=O)=O)=O

InChI

InChI=1S/C21H26FN3O3S/c1-16(2)18-7-9-20(10-8-18)23-21(26)15-25-12-4-11-24(29(25,27)28)14-17-5-3-6-19(22)13-17/h3,5-10,13,16H,4,11-12,14-15H2,1-2H3,(H,23,26)

InChI Key

RNSYSDBOIIRPOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27157662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.899

Distribution Coefficient, logD

3.899

Water Solubility, LogSw

-3.84

Polar Surface Area

59.528

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G775-0589 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 G775-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G775-0589?
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What is the minimum amount of G775-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G775-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G775-0589
  • 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 G775-0589 available by request