1325-0104 Screening compound: 2-bromo-4-[N-(4-methylbenzenesulfonyl)benzamido]phenyl benzoate

1325-0104 Screening compound: 2-bromo-4-[N-(4-methylbenzenesulfonyl)benzamido]phenyl benzoate
1325-0104 Screening compound: 2-bromo-4-[N-(4-methylbenzenesulfonyl)benzamido]phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1325-0104
2-bromo-4-[N-(4-methylbenzenesulfonyl)benzamido]phenyl benzoate

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

1325-0104

Molecular Formula

C27H20BrNO5S (C27 H20 BrNO5 S)

Compound Name

2-bromo-4-[N-(4-methylbenzenesulfonyl)benzamido]phenyl benzoate

IUPAC name

2-bromo-4-[N-(4-methylbenzenesulfonyl)benzamido]phenyl benzoate

SMILES

Cc(cc1)ccc1S(N(C(c1ccccc1)=O)c(cc1)cc(Br)c1OC(c1ccccc1)=O)(=O)=O

InChI

InChI=1S/C27H20BrNO5S/c1-19-12-15-23(16-13-19)35(32,33)29(26(30)20-8-4-2-5-9-20)22-14-17-25(24(28)18-22)34-27(31)21-10-6-3-7-11-21/h2-18H,1H3

InChI Key

AYQAHNROJBHMGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00521780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.161

Distribution Coefficient, logD

6.161

Water Solubility, LogSw

-5.60

Polar Surface Area

66.011

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-15.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

References: we are preparing a list of scientific research reports with 1325-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1325-0104?
Check Price and Availability of 1325-0104, 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 1325-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1325-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1325-0104
  • 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 1325-0104 available by request