G940-0542 Screening compound: 2-ethyl-4-[1-(pyridine-3-sulfonyl)piperidine-4-carbonyl]-3,4-dihydro-2H-1,4-benzothiazine

G940-0542 Screening compound: 2-ethyl-4-[1-(pyridine-3-sulfonyl)piperidine-4-carbonyl]-3,4-dihydro-2H-1,4-benzothiazine
G940-0542 Screening compound: 2-ethyl-4-[1-(pyridine-3-sulfonyl)piperidine-4-carbonyl]-3,4-dihydro-2H-1,4-benzothiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G940-0542
2-ethyl-4-[1-(pyridine-3-sulfonyl)piperidine-4-carbonyl]-3,4-dihydro-2H-1,4-benzothiazine

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

G940-0542

Molecular Formula

C21H25N3O3S2 (C21 H25 N3 O3 S2)

Compound Name

2-ethyl-4-[1-(pyridine-3-sulfonyl)piperidine-4-carbonyl]-3,4-dihydro-2H-1,4-benzothiazine

IUPAC name

2-ethyl-4-[1-(pyridine-3-sulfonyl)piperidine-4-carbonyl]-34-dihydro-2H-14-benzothiazine

SMILES

CCC(C1)Sc(cccc2)c2N1C(C(CC1)CCN1S(c1cnccc1)(=O)=O)=O

InChI

InChI=1S/C21H25N3O3S2/c1-2-17-15-24(19-7-3-4-8-20(19)28-17)21(25)16-9-12-23(13-10-16)29(26,27)18-6-5-11-22-14-18/h3-8,11,14,16-17H,2,9-10,12-13,15H2,1H3/t17-/m1/s1

InChI Key

BOUROYBDFDKBRF-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD15076454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.323

Distribution Coefficient, logD

3.323

Water Solubility, LogSw

-3.38

Polar Surface Area

56.713

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

G940-0542 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G940-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G940-0542?
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What is the minimum amount of G940-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G940-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G940-0542
  • 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 G940-0542 available by request