D256-0829 Screening compound: butyl 4-(1-methanesulfonyl-1,2,3,4-tetrahydroquinoline-6-amido)benzoate

D256-0829 Screening compound: butyl 4-(1-methanesulfonyl-1,2,3,4-tetrahydroquinoline-6-amido)benzoate
D256-0829 Screening compound: butyl 4-(1-methanesulfonyl-1,2,3,4-tetrahydroquinoline-6-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D256-0829
butyl 4-(1-methanesulfonyl-1,2,3,4-tetrahydroquinoline-6-amido)benzoate

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

D256-0829

Molecular Formula

C22H26N2O5S (C22 H26 N2 O5 S)

Compound Name

butyl 4-(1-methanesulfonyl-1,2,3,4-tetrahydroquinoline-6-amido)benzoate

IUPAC name

butyl 4-(1-methanesulfonyl-1234-tetrahydroquinoline-6-amido)benzoate

SMILES

CCCCOC(c(cc1)ccc1NC(c(cc1)cc(CCC2)c1N2S(C)(=O)=O)=O)=O

InChI

InChI=1S/C22H26N2O5S/c1-3-4-14-29-22(26)16-7-10-19(11-8-16)23-21(25)18-9-12-20-17(15-18)6-5-13-24(20)30(2,27)28/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,25)

InChI Key

ULFDPDSGMBYAAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09159255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.873

Distribution Coefficient, logD

3.855

Water Solubility, LogSw

-3.94

Polar Surface Area

75.294

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D256-0829 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Endocrine

References: we are preparing a list of scientific research reports with D256-0829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D256-0829?
Check Price and Availability of D256-0829, 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 D256-0829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D256-0829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D256-0829
  • 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 D256-0829 available by request