D348-0249 Screening compound: 1-(ethanesulfonyl)-6-(4-phenylpiperazine-1-carbonyl)-1,2,3,4-tetrahydroquinoline

D348-0249 Screening compound: 1-(ethanesulfonyl)-6-(4-phenylpiperazine-1-carbonyl)-1,2,3,4-tetrahydroquinoline
D348-0249 Screening compound: 1-(ethanesulfonyl)-6-(4-phenylpiperazine-1-carbonyl)-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound D348-0249
1-(ethanesulfonyl)-6-(4-phenylpiperazine-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

D348-0249

Molecular Formula

C22H27N3O3S (C22 H27 N3 O3 S)

Compound Name

1-(ethanesulfonyl)-6-(4-phenylpiperazine-1-carbonyl)-1,2,3,4-tetrahydroquinoline

IUPAC name

1-(ethanesulfonyl)-6-(4-phenylpiperazine-1-carbonyl)-1234-tetrahydroquinoline

SMILES

CCS(N(CCC1)c(cc2)c1cc2C(N(CC1)CCN1c1ccccc1)=O)(=O)=O

InChI

InChI=1S/C22H27N3O3S/c1-2-29(27,28)25-12-6-7-18-17-19(10-11-21(18)25)22(26)24-15-13-23(14-16-24)20-8-4-3-5-9-20/h3-5,8-11,17H,2,6-7,12-16H2,1H3

InChI Key

DCNWQUXAHVIRIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09673730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.239

Distribution Coefficient, logD

2.239

Water Solubility, LogSw

-2.77

Polar Surface Area

51.465

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

D348-0249 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D348-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D348-0249?
Check Price and Availability of D348-0249, 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 D348-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D348-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D348-0249
  • 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 D348-0249 available by request