4063-0004 Screening compound: (Z)-4-chloro-N-(2-methoxyphenyl)-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide

4063-0004 Screening compound: (Z)-4-chloro-N-(2-methoxyphenyl)-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide
4063-0004 Screening compound: (Z)-4-chloro-N-(2-methoxyphenyl)-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4063-0004
(Z)-4-chloro-N-(2-methoxyphenyl)-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide

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

4063-0004

Molecular Formula

C21H19ClN2O3S (C21 H19 ClN2 O3 S)

Compound Name

(Z)-4-chloro-N-(2-methoxyphenyl)-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide

IUPAC name

(Z)-4-chloro-N-(2-methoxyphenyl)-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide

SMILES

Cc(cc1)ccc1S(/N=C(/c(cc1)ccc1Cl)\Nc(cccc1)c1OC)(=O)=O

InChI

InChI=1S/C21H19ClN2O3S/c1-15-7-13-18(14-8-15)28(25,26)24-21(16-9-11-17(22)12-10-16)23-19-5-3-4-6-20(19)27-2/h3-14H,1-2H3,(H,23,24)

InChI Key

VMDPGANFCLTPIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02659777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.485

Distribution Coefficient, logD

5.451

Water Solubility, LogSw

-6.18

Polar Surface Area

55.622

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

4063-0004 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

CNS targets activity set (6557 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 4063-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4063-0004?
Check Price and Availability of 4063-0004, 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 4063-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4063-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4063-0004
  • 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 4063-0004 available by request