2053-0050 Screening compound: 3-(4-bromobenzamido)phenyl 4-bromo-3-(piperidine-1-sulfonyl)benzoate

2053-0050 Screening compound: 3-(4-bromobenzamido)phenyl 4-bromo-3-(piperidine-1-sulfonyl)benzoate
2053-0050 Screening compound: 3-(4-bromobenzamido)phenyl 4-bromo-3-(piperidine-1-sulfonyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2053-0050
3-(4-bromobenzamido)phenyl 4-bromo-3-(piperidine-1-sulfonyl)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

2053-0050

Molecular Formula

C25H22Br2N2O5S (C25 H22 Br2 N2 O5 S)

Compound Name

3-(4-bromobenzamido)phenyl 4-bromo-3-(piperidine-1-sulfonyl)benzoate

IUPAC name

3-(4-bromobenzamido)phenyl 4-bromo-3-(piperidine-1-sulfonyl)benzoate

SMILES

O=C(c(cc1)ccc1Br)Nc1cccc(OC(c(cc2)cc(S(N3CCCCC3)(=O)=O)c2Br)=O)c1

InChI

InChI=1S/C25H22Br2N2O5S/c26-19-10-7-17(8-11-19)24(30)28-20-5-4-6-21(16-20)34-25(31)18-9-12-22(27)23(15-18)35(32,33)29-13-2-1-3-14-29/h4-12,15-16H,1-3,13-14H2,(H,28,30)

InChI Key

BFILQUMBUFIGSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00493002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

622.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.690

Distribution Coefficient, logD

5.683

Water Solubility, LogSw

-5.82

Polar Surface Area

75.418

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

-2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

2053-0050 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2053-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2053-0050?
Check Price and Availability of 2053-0050, 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 2053-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2053-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2053-0050
  • 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 2053-0050 available by request