D256-1041 Screening compound: N-(3-bromophenyl)-1-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

D256-1041 Screening compound: N-(3-bromophenyl)-1-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
D256-1041 Screening compound: N-(3-bromophenyl)-1-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D256-1041
N-(3-bromophenyl)-1-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroquinoline-6-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

D256-1041

Molecular Formula

C23H21BrN2O3S (C23 H21 BrN2 O3 S)

Compound Name

N-(3-bromophenyl)-1-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

IUPAC name

N-(3-bromophenyl)-1-(4-methylbenzenesulfonyl)-1234-tetrahydroquinoline-6-carboxamide

SMILES

Cc(cc1)ccc1S(N(CCC1)c(cc2)c1cc2C(Nc1cccc(Br)c1)=O)(=O)=O

InChI

InChI=1S/C23H21BrN2O3S/c1-16-7-10-21(11-8-16)30(28,29)26-13-3-4-17-14-18(9-12-22(17)26)23(27)25-20-6-2-5-19(24)15-20/h2,5-12,14-15H,3-4,13H2,1H3,(H,25,27)

InChI Key

SKDPYLVRKWPHFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09671541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.155

Distribution Coefficient, logD

5.128

Water Solubility, LogSw

-4.98

Polar Surface Area

54.482

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D256-1041 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D256-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D256-1041?
Check Price and Availability of D256-1041, 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 D256-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D256-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D256-1041
  • 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 D256-1041 available by request