G261-0018 Screening compound: 2,2,6-trimethyl-4-oxo-N-[(pyridin-2-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-7-sulfonamide

G261-0018 Screening compound: 2,2,6-trimethyl-4-oxo-N-[(pyridin-2-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-7-sulfonamide
G261-0018 Screening compound: 2,2,6-trimethyl-4-oxo-N-[(pyridin-2-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G261-0018
2,2,6-trimethyl-4-oxo-N-[(pyridin-2-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-7-sulfonamide

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

G261-0018

Molecular Formula

C21H23N3O3S (C21 H23 N3 O3 S)

Compound Name

2,2,6-trimethyl-4-oxo-N-[(pyridin-2-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-7-sulfonamide

IUPAC name

226-trimethyl-4-oxo-N-[(pyridin-2-yl)methyl]-2349-tetrahydro-1H-carbazole-7-sulfonamide

SMILES

CC(C)(Cc([nH]c1c2)c3c1cc(C)c2S(NCc1ncccc1)(=O)=O)CC3=O

InChI

InChI=1S/C21H23N3O3S/c1-13-8-15-16(24-17-10-21(2,3)11-18(25)20(15)17)9-19(13)28(26,27)23-12-14-6-4-5-7-22-14/h4-9,23-24H,10-12H2,1-3H3

InChI Key

ATCNMHDQKVJMIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14990242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.746

Distribution Coefficient, logD

2.741

Water Solubility, LogSw

-3.26

Polar Surface Area

75.558

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

G261-0018 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 G261-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G261-0018?
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What is the minimum amount of G261-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G261-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G261-0018
  • 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 G261-0018 available by request