D256-0952 Screening compound: 1-(benzenesulfonyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinoline

D256-0952 Screening compound: 1-(benzenesulfonyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinoline
D256-0952 Screening compound: 1-(benzenesulfonyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound D256-0952
1-(benzenesulfonyl)-6-[4-(2-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

D256-0952

Molecular Formula

C27H29N3O4S (C27 H29 N3 O4 S)

Compound Name

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

IUPAC name

1-(benzenesulfonyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1234-tetrahydroquinoline

SMILES

COc(cccc1)c1N(CC1)CCN1C(c(cc1)cc(CCC2)c1N2S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C27H29N3O4S/c1-34-26-12-6-5-11-25(26)28-16-18-29(19-17-28)27(31)22-13-14-24-21(20-22)8-7-15-30(24)35(32,33)23-9-3-2-4-10-23/h2-6,9-14,20H,7-8,15-19H2,1H3

InChI Key

RBCJESUQMMMRTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09673556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.61

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

3.371

Distribution Coefficient, logD

3.371

Water Solubility, LogSw

-3.88

Polar Surface Area

58.629

Acid Dissociation Constant (pKa)

24.75

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

D256-0952 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D256-0952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D256-0952?
Check Price and Availability of D256-0952, 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 D256-0952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D256-0952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D256-0952
  • 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 D256-0952 available by request