8007-6030 Screening compound: 3,3-bis[(4-nitrophenyl)sulfonyl]propyl cyanide

8007-6030 Screening compound: 3,3-bis[(4-nitrophenyl)sulfonyl]propyl cyanide
8007-6030 Screening compound: 3,3-bis[(4-nitrophenyl)sulfonyl]propyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-6030
3,3-bis[(4-nitrophenyl)sulfonyl]propyl cyanide

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

8007-6030

Molecular Formula

C16H13N3O8S2 (C16 H13 N3 O8 S2)

Compound Name

3,3-bis[(4-nitrophenyl)sulfonyl]propyl cyanide

IUPAC name

44-bis(4-nitrobenzenesulfonyl)butanenitrile

SMILES

N#CCCC(S(c(cc1)ccc1[N+]([O-])=O)(=O)=O)S(c(cc1)ccc1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C16H13N3O8S2/c17-11-1-2-16(28(24,25)14-7-3-12(4-8-14)18(20)21)29(26,27)15-9-5-13(6-10-15)19(22)23/h3-10,16H,1-2H2

InChI Key

ASSJJJYSHGMDDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00680573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.43

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.815

Distribution Coefficient, logD

1.810

Water Solubility, LogSw

-2.42

Polar Surface Area

143.766

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

8007-6030 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 8007-6030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-6030?
Check Price and Availability of 8007-6030, 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 8007-6030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-6030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-6030
  • 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 8007-6030 available by request