1950-0006 Screening compound: 2,2-bis(ethanesulfonyl)-N,N'-diphenylethene-1,1-diamine

1950-0006 Screening compound: 2,2-bis(ethanesulfonyl)-N,N'-diphenylethene-1,1-diamine
1950-0006 Screening compound: 2,2-bis(ethanesulfonyl)-N,N'-diphenylethene-1,1-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1950-0006
2,2-bis(ethanesulfonyl)-N,N'-diphenylethene-1,1-diamine

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

1950-0006

Molecular Formula

C18H22N2O4S2 (C18 H22 N2 O4 S2)

Compound Name

2,2-bis(ethanesulfonyl)-N,N'-diphenylethene-1,1-diamine

IUPAC name

22-bis(ethanesulfonyl)-NN'-diphenylethene-11-diamine

SMILES

CCS(C(S(CC)(=O)=O)=C(Nc1ccccc1)Nc1ccccc1)(=O)=O

InChI

InChI=1S/C18H22N2O4S2/c1-3-25(21,22)18(26(23,24)4-2)17(19-15-11-7-5-8-12-15)20-16-13-9-6-10-14-16/h5-14,19-20H,3-4H2,1-2H3

InChI Key

NJFZBLGZCYTBSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00365711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.806

Distribution Coefficient, logD

2.806

Water Solubility, LogSw

-3.30

Polar Surface Area

78.448

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

1950-0006 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1950-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1950-0006?
Check Price and Availability of 1950-0006, 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 1950-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1950-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1950-0006
  • 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 1950-0006 available by request