D348-0251 Screening compound: 1-(ethanesulfonyl)-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinoline

D348-0251 Screening compound: 1-(ethanesulfonyl)-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinoline
D348-0251 Screening compound: 1-(ethanesulfonyl)-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound D348-0251
1-(ethanesulfonyl)-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinoline

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

D348-0251

Molecular Formula

C23H29N3O4S (C23 H29 N3 O4 S)

Compound Name

1-(ethanesulfonyl)-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinoline

IUPAC name

1-(ethanesulfonyl)-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1234-tetrahydroquinoline

SMILES

CCS(N(CCC1)c(cc2)c1cc2C(N(CC1)CCN1c(cc1)ccc1OC)=O)(=O)=O

InChI

InChI=1S/C23H29N3O4S/c1-3-31(28,29)26-12-4-5-18-17-19(6-11-22(18)26)23(27)25-15-13-24(14-16-25)20-7-9-21(30-2)10-8-20/h6-11,17H,3-5,12-16H2,1-2H3

InChI Key

VKCNNVAAEXYPHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09673732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.343

Distribution Coefficient, logD

2.343

Water Solubility, LogSw

-2.89

Polar Surface Area

59.009

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

D348-0251 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D348-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D348-0251?
Check Price and Availability of D348-0251, 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 D348-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D348-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D348-0251
  • 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 D348-0251 available by request