G406-0170 Screening compound: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroquinolin-1-yl]acetamide

G406-0170 Screening compound: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroquinolin-1-yl]acetamide
G406-0170 Screening compound: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroquinolin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G406-0170
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroquinolin-1-yl]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

G406-0170

Molecular Formula

C23H24N4O4S2 (C23 H24 N4 O4 S2)

Compound Name

N-(6-methyl-1,3-benzothiazol-2-yl)-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroquinolin-1-yl]acetamide

IUPAC name

N-(6-methyl-13-benzothiazol-2-yl)-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1234-tetrahydroquinolin-1-yl]acetamide

SMILES

Cc(cc1)cc2c1nc(NC(CN(C(CC1)=O)c(cc3)c1cc3S(N1CCCC1)(=O)=O)=O)s2

InChI

InChI=1S/C23H24N4O4S2/c1-15-4-7-18-20(12-15)32-23(24-18)25-21(28)14-27-19-8-6-17(13-16(19)5-9-22(27)29)33(30,31)26-10-2-3-11-26/h4,6-8,12-13H,2-3,5,9-11,14H2,1H3,(H,24,25,28)

InChI Key

CRQFQUVZSZFXDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27139287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.239

Distribution Coefficient, logD

4.239

Water Solubility, LogSw

-4.25

Polar Surface Area

80.607

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

G406-0170 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with G406-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G406-0170?
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What is the minimum amount of G406-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G406-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G406-0170
  • 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 G406-0170 available by request