2488-0040 Screening compound: 2-acetamidophenyl 5-bromo-2-methylbenzene-1-sulfonate

2488-0040 Screening compound: 2-acetamidophenyl 5-bromo-2-methylbenzene-1-sulfonate
2488-0040 Screening compound: 2-acetamidophenyl 5-bromo-2-methylbenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2488-0040
2-acetamidophenyl 5-bromo-2-methylbenzene-1-sulfonate

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

2488-0040

Molecular Formula

C15H14BrNO4S (C15 H14 BrNO4 S)

Compound Name

2-acetamidophenyl 5-bromo-2-methylbenzene-1-sulfonate

IUPAC name

2-acetamidophenyl 5-bromo-2-methylbenzene-1-sulfonate

SMILES

CC(Nc(cccc1)c1OS(c1c(C)ccc(Br)c1)(=O)=O)=O

InChI

InChI=1S/C15H14BrNO4S/c1-10-7-8-12(16)9-15(10)22(19,20)21-14-6-4-3-5-13(14)17-11(2)18/h3-9H,1-2H3,(H,17,18)

InChI Key

QUUFQYVJDQNAHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01173021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.946

Distribution Coefficient, logD

2.946

Water Solubility, LogSw

-3.38

Polar Surface Area

58.651

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

2488-0040 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2488-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2488-0040?
Check Price and Availability of 2488-0040, 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 2488-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2488-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2488-0040
  • 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 2488-0040 available by request