1325-0244 Screening compound: 2-bromo-4-[N-(naphthalene-2-sulfonyl)acetamido]phenyl acetate

1325-0244 Screening compound: 2-bromo-4-[N-(naphthalene-2-sulfonyl)acetamido]phenyl acetate
1325-0244 Screening compound: 2-bromo-4-[N-(naphthalene-2-sulfonyl)acetamido]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1325-0244
2-bromo-4-[N-(naphthalene-2-sulfonyl)acetamido]phenyl acetate

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

1325-0244

Molecular Formula

C20H16BrNO5S (C20 H16 BrNO5 S)

Compound Name

2-bromo-4-[N-(naphthalene-2-sulfonyl)acetamido]phenyl acetate

IUPAC name

2-bromo-4-[N-(naphthalene-2-sulfonyl)acetamido]phenyl acetate

SMILES

CC(N(c(cc1)cc(Br)c1OC(C)=O)S(c1cc2ccccc2cc1)(=O)=O)=O

InChI

InChI=1S/C20H16BrNO5S/c1-13(23)22(17-8-10-20(19(21)12-17)27-14(2)24)28(25,26)18-9-7-15-5-3-4-6-16(15)11-18/h3-12H,1-2H3

InChI Key

SSARAOHVKXASDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00567864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.994

Distribution Coefficient, logD

3.994

Water Solubility, LogSw

-4.15

Polar Surface Area

66.852

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

-13.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

1325-0244 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1325-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1325-0244?
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What is the minimum amount of 1325-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1325-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1325-0244
  • 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 1325-0244 available by request