G513-0279 Screening compound: 3,4-diethoxy-N-[1-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]benzamide

G513-0279 Screening compound: 3,4-diethoxy-N-[1-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]benzamide
G513-0279 Screening compound: 3,4-diethoxy-N-[1-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G513-0279
3,4-diethoxy-N-[1-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]benzamide

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

G513-0279

Molecular Formula

C24H26N2O5S2 (C24 H26 N2 O5 S2)

Compound Name

3,4-diethoxy-N-[1-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]benzamide

IUPAC name

34-diethoxy-N-[1-(thiophene-2-sulfonyl)-1234-tetrahydroquinolin-7-yl]benzamide

SMILES

CCOc(ccc(C(Nc1cc(N(CCC2)S(c3cccs3)(=O)=O)c2cc1)=O)c1)c1OCC

InChI

InChI=1S/C24H26N2O5S2/c1-3-30-21-12-10-18(15-22(21)31-4-2)24(27)25-19-11-9-17-7-5-13-26(20(17)16-19)33(28,29)23-8-6-14-32-23/h6,8-12,14-16H,3-5,7,13H2,1-2H3,(H,25,27)

InChI Key

XYNFZUZBBCMKSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07802896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.856

Distribution Coefficient, logD

3.856

Water Solubility, LogSw

-3.92

Polar Surface Area

69.921

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

G513-0279 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G513-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G513-0279?
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What is the minimum amount of G513-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G513-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G513-0279
  • 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 G513-0279 available by request