G512-0045 Screening compound: N-(1-cyclopropanecarbonyl-1,2,3,4-tetrahydroquinolin-7-yl)-3-fluoro-4-methoxybenzene-1-sulfonamide

G512-0045 Screening compound: N-(1-cyclopropanecarbonyl-1,2,3,4-tetrahydroquinolin-7-yl)-3-fluoro-4-methoxybenzene-1-sulfonamide
G512-0045 Screening compound: N-(1-cyclopropanecarbonyl-1,2,3,4-tetrahydroquinolin-7-yl)-3-fluoro-4-methoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G512-0045
N-(1-cyclopropanecarbonyl-1,2,3,4-tetrahydroquinolin-7-yl)-3-fluoro-4-methoxybenzene-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

G512-0045

Molecular Formula

C20H21FN2O4S (C20 H21 FN2 O4 S)

Compound Name

N-(1-cyclopropanecarbonyl-1,2,3,4-tetrahydroquinolin-7-yl)-3-fluoro-4-methoxybenzene-1-sulfonamide

IUPAC name

N-(1-cyclopropanecarbonyl-1234-tetrahydroquinolin-7-yl)-3-fluoro-4-methoxybenzene-1-sulfonamide

SMILES

COc(ccc(S(Nc1cc(N(CCC2)C(C3CC3)=O)c2cc1)(=O)=O)c1)c1F

InChI

InChI=1S/C20H21FN2O4S/c1-27-19-9-8-16(12-17(19)21)28(25,26)22-15-7-6-13-3-2-10-23(18(13)11-15)20(24)14-4-5-14/h6-9,11-12,14,22H,2-5,10H2,1H3

InChI Key

FXEFFVJCMBKMLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08008183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.470

Distribution Coefficient, logD

3.468

Water Solubility, LogSw

-3.98

Polar Surface Area

64.354

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

G512-0045 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G512-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G512-0045?
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What is the minimum amount of G512-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G512-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G512-0045
  • 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 G512-0045 available by request