D665-0546 Screening compound: 4-[2-({[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}amino)ethyl]benzene-1-sulfonamide

D665-0546 Screening compound: 4-[2-({[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}amino)ethyl]benzene-1-sulfonamide
D665-0546 Screening compound: 4-[2-({[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}amino)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D665-0546
4-[2-({[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}amino)ethyl]benzene-1-sulfonamide

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

D665-0546

Molecular Formula

C20H21ClN2O3S (C20 H21 ClN2 O3 S)

Compound Name

4-[2-({[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}amino)ethyl]benzene-1-sulfonamide

IUPAC name

4-[2-({[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}amino)ethyl]benzene-1-sulfonamide

SMILES

Cc(c(-c1ccc(CNCCc(cc2)ccc2S(N)(=O)=O)o1)ccc1)c1Cl

InChI

InChI=1S/C20H21ClN2O3S/c1-14-18(3-2-4-19(14)21)20-10-7-16(26-20)13-23-12-11-15-5-8-17(9-6-15)27(22,24)25/h2-10,23H,11-13H2,1H3,(H2,22,24,25)

InChI Key

CAXIYXWBBGKNKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07412075

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

404.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.239

Distribution Coefficient, logD

2.592

Water Solubility, LogSw

-3.76

Polar Surface Area

70.019

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

7.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D665-0546 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D665-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D665-0546?
Check Price and Availability of D665-0546, 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 D665-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D665-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D665-0546
  • 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 D665-0546 available by request