G122-1398 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-(1,2,3,4-tetrahydroquinolin-1-yl)thiophene-2-carboxamide

G122-1398 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-(1,2,3,4-tetrahydroquinolin-1-yl)thiophene-2-carboxamide
G122-1398 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-(1,2,3,4-tetrahydroquinolin-1-yl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G122-1398
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-(1,2,3,4-tetrahydroquinolin-1-yl)thiophene-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

G122-1398

Molecular Formula

C27H31ClN4OS (C27 H31 ClN4 OS)

Compound Name

N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-(1,2,3,4-tetrahydroquinolin-1-yl)thiophene-2-carboxamide

IUPAC name

N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-(1234-tetrahydroquinolin-1-yl)thiophene-2-carboxamide

SMILES

O=C(c1ccc(N(CCC2)c3c2cccc3)s1)NCCCN(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C27H31ClN4OS/c28-22-8-3-9-23(20-22)31-18-16-30(17-19-31)14-5-13-29-27(33)25-11-12-26(34-25)32-15-4-7-21-6-1-2-10-24(21)32/h1-3,6,8-12,20H,4-5,7,13-19H2,(H,29,33)

InChI Key

BXWPDRDJHKEMMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14982432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.09

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.573

Distribution Coefficient, logD

5.029

Water Solubility, LogSw

-5.78

Polar Surface Area

35.223

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

G122-1398 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with G122-1398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G122-1398?
Check Price and Availability of G122-1398, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G122-1398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G122-1398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G122-1398
  • 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 G122-1398 available by request