8009-9928 Screening compound: 3-butoxy-N-{1-[(3-butoxyphenyl)amino]-2,2-bis(propane-1-sulfonyl)ethenyl}aniline

8009-9928 Screening compound: 3-butoxy-N-{1-[(3-butoxyphenyl)amino]-2,2-bis(propane-1-sulfonyl)ethenyl}aniline
8009-9928 Screening compound: 3-butoxy-N-{1-[(3-butoxyphenyl)amino]-2,2-bis(propane-1-sulfonyl)ethenyl}aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9928
3-butoxy-N-{1-[(3-butoxyphenyl)amino]-2,2-bis(propane-1-sulfonyl)ethenyl}aniline

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

8009-9928

Molecular Formula

C28H42N2O6S2 (C28 H42 N2 O6 S2)

Compound Name

3-butoxy-N-{1-[(3-butoxyphenyl)amino]-2,2-bis(propane-1-sulfonyl)ethenyl}aniline

IUPAC name

3-butoxy-N-{1-[(3-butoxyphenyl)amino]-22-bis(propane-1-sulfonyl)ethenyl}aniline

SMILES

CCCCOc1cccc(NC(Nc2cc(OCCCC)ccc2)=C(S(CCC)(=O)=O)S(CCC)(=O)=O)c1

InChI

InChI=1S/C28H42N2O6S2/c1-5-9-17-35-25-15-11-13-23(21-25)29-27(28(37(31,32)19-7-3)38(33,34)20-8-4)30-24-14-12-16-26(22-24)36-18-10-6-2/h11-16,21-22,29-30H,5-10,17-20H2,1-4H3

InChI Key

CJGYMDGYKDUPAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00689782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.78

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.134

Distribution Coefficient, logD

7.134

Water Solubility, LogSw

-5.74

Polar Surface Area

93.283

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8009-9928 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-9928 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9928?
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What is the minimum amount of 8009-9928 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9928
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9928
  • 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 8009-9928 available by request