G586-0694 Screening compound: 8-chloro-7-methoxy-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)thieno[2,3-b]quinoline-2-carboxamide

G586-0694 Screening compound: 8-chloro-7-methoxy-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)thieno[2,3-b]quinoline-2-carboxamide
G586-0694 Screening compound: 8-chloro-7-methoxy-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)thieno[2,3-b]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G586-0694
8-chloro-7-methoxy-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)thieno[2,3-b]quinoline-2-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

G586-0694

Molecular Formula

C27H28ClN3O2S (C27 H28 ClN3 O2 S)

Compound Name

8-chloro-7-methoxy-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)thieno[2,3-b]quinoline-2-carboxamide

IUPAC name

8-chloro-7-methoxy-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)thieno[23-b]quinoline-2-carboxamide

SMILES

Cc1ccc(CN2CCC(CNC(c3cc(cc(ccc(OC)c4Cl)c4n4)c4s3)=O)CC2)cc1

InChI

InChI=1S/C27H28ClN3O2S/c1-17-3-5-19(6-4-17)16-31-11-9-18(10-12-31)15-29-26(32)23-14-21-13-20-7-8-22(33-2)24(28)25(20)30-27(21)34-23/h3-8,13-14,18H,9-12,15-16H2,1-2H3,(H,29,32)

InChI Key

OXCFKMJGBCGACN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27145130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.06

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.237

Distribution Coefficient, logD

3.516

Water Solubility, LogSw

-6.41

Polar Surface Area

46.221

Acid Dissociation Constant (pKa)

13.62

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G586-0694 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with G586-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G586-0694?
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What is the minimum amount of G586-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G586-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G586-0694
  • 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 G586-0694 available by request