0249-0001 Screening compound: N1,N2-didodecylbenzene-1,2-disulfonamide

0249-0001 Screening compound: N1,N2-didodecylbenzene-1,2-disulfonamide
0249-0001 Screening compound: N1,N2-didodecylbenzene-1,2-disulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0249-0001
N1,N2-didodecylbenzene-1,2-disulfonamide

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

0249-0001

Molecular Formula

C30H56N2O4S2 (C30 H56 N2 O4 S2)

Compound Name

N1,N2-didodecylbenzene-1,2-disulfonamide

IUPAC name

N1N2-didodecylbenzene-12-disulfonamide

SMILES

CCCCCCCCCCCCNS(c(cccc1)c1S(NCCCCCCCCCCCC)(=O)=O)(=O)=O

InChI

InChI=1S/C30H56N2O4S2/c1-3-5-7-9-11-13-15-17-19-23-27-31-37(33,34)29-25-21-22-26-30(29)38(35,36)32-28-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-26,31-32H,3-20,23-24,27-28H2,1-2H3

InChI Key

PMEVUVSBWRIQCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.92

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

26.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

10.959

Distribution Coefficient, logD

10.959

Water Solubility, LogSw

-6.01

Polar Surface Area

83.981

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

-4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

80.00

0249-0001 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Frequent Hitters Library (7624 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0249-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0249-0001?
Check Price and Availability of 0249-0001, 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 0249-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0249-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0249-0001
  • 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 0249-0001 available by request