G547-0098 Screening compound: N-(3-{[(oxolan-2-yl)methyl][(thiophen-2-yl)methyl]amino}propyl)-2-(pyridin-3-yl)quinoline-4-carboxamide

G547-0098 Screening compound: N-(3-{[(oxolan-2-yl)methyl][(thiophen-2-yl)methyl]amino}propyl)-2-(pyridin-3-yl)quinoline-4-carboxamide
G547-0098 Screening compound: N-(3-{[(oxolan-2-yl)methyl][(thiophen-2-yl)methyl]amino}propyl)-2-(pyridin-3-yl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G547-0098
N-(3-{[(oxolan-2-yl)methyl][(thiophen-2-yl)methyl]amino}propyl)-2-(pyridin-3-yl)quinoline-4-carboxamide

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

G547-0098

Molecular Formula

C28H30N4O2S (C28 H30 N4 O2 S)

Compound Name

N-(3-{[(oxolan-2-yl)methyl][(thiophen-2-yl)methyl]amino}propyl)-2-(pyridin-3-yl)quinoline-4-carboxamide

IUPAC name

N-(3-{[(oxolan-2-yl)methyl][(thiophen-2-yl)methyl]amino}propyl)-2-(pyridin-3-yl)quinoline-4-carboxamide

SMILES

O=C(c1cc(-c2cnccc2)nc2ccccc12)NCCCN(CC1OCCC1)Cc1cccs1

InChI

InChI=1S/C28H30N4O2S/c33-28(25-17-27(21-7-3-12-29-18-21)31-26-11-2-1-10-24(25)26)30-13-6-14-32(19-22-8-4-15-34-22)20-23-9-5-16-35-23/h1-3,5,7,9-12,16-18,22H,4,6,8,13-15,19-20H2,(H,30,33)/t22-/m1/s1

InChI Key

ACIXNUVWPHXOGD-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD15018996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.039

Distribution Coefficient, logD

3.872

Water Solubility, LogSw

-3.95

Polar Surface Area

55.433

Acid Dissociation Constant (pKa)

15.91

Base Dissociation Constant (pKb)

7.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

G547-0098 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G547-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G547-0098?
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What is the minimum amount of G547-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G547-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G547-0098
  • 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 G547-0098 available by request