1950-0018 Screening compound: N-[2,2-bis(butane-1-sulfonyl)-1-[(4-methoxyphenyl)amino]ethenyl]-4-methoxyaniline

1950-0018 Screening compound: N-[2,2-bis(butane-1-sulfonyl)-1-[(4-methoxyphenyl)amino]ethenyl]-4-methoxyaniline
1950-0018 Screening compound: N-[2,2-bis(butane-1-sulfonyl)-1-[(4-methoxyphenyl)amino]ethenyl]-4-methoxyaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1950-0018
N-[2,2-bis(butane-1-sulfonyl)-1-[(4-methoxyphenyl)amino]ethenyl]-4-methoxyaniline

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

1950-0018

Molecular Formula

C24H34N2O6S2 (C24 H34 N2 O6 S2)

Compound Name

N-[2,2-bis(butane-1-sulfonyl)-1-[(4-methoxyphenyl)amino]ethenyl]-4-methoxyaniline

IUPAC name

N-[22-bis(butane-1-sulfonyl)-1-[(4-methoxyphenyl)amino]ethenyl]-4-methoxyaniline

SMILES

CCCCS(C(S(CCCC)(=O)=O)=C(Nc(cc1)ccc1OC)Nc(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C24H34N2O6S2/c1-5-7-17-33(27,28)24(34(29,30)18-8-6-2)23(25-19-9-13-21(31-3)14-10-19)26-20-11-15-22(32-4)16-12-20/h9-16,25-26H,5-8,17-18H2,1-4H3

InChI Key

ORCBASHXNXMIFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00328573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.258

Distribution Coefficient, logD

5.258

Water Solubility, LogSw

-5.18

Polar Surface Area

93.535

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

1950-0018 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1950-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1950-0018?
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What is the minimum amount of 1950-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1950-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1950-0018
  • 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 1950-0018 available by request