G505-0181 Screening compound: 3-fluoro-4-methoxy-N-[1-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]benzene-1-sulfonamide

G505-0181 Screening compound: 3-fluoro-4-methoxy-N-[1-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]benzene-1-sulfonamide
G505-0181 Screening compound: 3-fluoro-4-methoxy-N-[1-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G505-0181
3-fluoro-4-methoxy-N-[1-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]benzene-1-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

G505-0181

Molecular Formula

C20H19FN2O5S3 (C20 H19 FN2 O5 S3)

Compound Name

3-fluoro-4-methoxy-N-[1-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]benzene-1-sulfonamide

IUPAC name

3-fluoro-4-methoxy-N-[1-(thiophene-2-sulfonyl)-1234-tetrahydroquinolin-6-yl]benzene-1-sulfonamide

SMILES

COc(ccc(S(Nc(cc1)cc(CCC2)c1N2S(c1cccs1)(=O)=O)(=O)=O)c1)c1F

InChI

InChI=1S/C20H19FN2O5S3/c1-28-19-9-7-16(13-17(19)21)30(24,25)22-15-6-8-18-14(12-15)4-2-10-23(18)31(26,27)20-5-3-11-29-20/h3,5-9,11-13,22H,2,4,10H2,1H3

InChI Key

BPJWBTPJUWJWJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08007069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.315

Distribution Coefficient, logD

3.311

Water Solubility, LogSw

-3.82

Polar Surface Area

80.689

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

-7.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G505-0181 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 G505-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G505-0181?
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What is the minimum amount of G505-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G505-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G505-0181
  • 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 G505-0181 available by request