0831-1150 Screening compound: methyl 2-({[5-bromo-2-(4-methylbenzenesulfonamido)phenyl](phenyl)methyl}amino)acetate

0831-1150 Screening compound: methyl 2-({[5-bromo-2-(4-methylbenzenesulfonamido)phenyl](phenyl)methyl}amino)acetate
0831-1150 Screening compound: methyl 2-({[5-bromo-2-(4-methylbenzenesulfonamido)phenyl](phenyl)methyl}amino)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-1150
methyl 2-({[5-bromo-2-(4-methylbenzenesulfonamido)phenyl](phenyl)methyl}amino)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

0831-1150

Molecular Formula

C23H23BrN2O4S (C23 H23 BrN2 O4 S)

Compound Name

methyl 2-({[5-bromo-2-(4-methylbenzenesulfonamido)phenyl](phenyl)methyl}amino)acetate

IUPAC name

methyl 2-({[5-bromo-2-(4-methylbenzenesulfonamido)phenyl](phenyl)methyl}amino)acetate

SMILES

Cc(cc1)ccc1S(Nc(cc1)c(C(c2ccccc2)NCC(OC)=O)cc1Br)(=O)=O

InChI

InChI=1S/C23H23BrN2O4S/c1-16-8-11-19(12-9-16)31(28,29)26-21-13-10-18(24)14-20(21)23(25-15-22(27)30-2)17-6-4-3-5-7-17/h3-14,23,25-26H,15H2,1-2H3/t23-/m0/s1

InChI Key

BEKYMFMGNICIGP-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00525046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.388

Distribution Coefficient, logD

4.114

Water Solubility, LogSw

-4.26

Polar Surface Area

71.678

Acid Dissociation Constant (pKa)

7.46

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

0831-1150 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0831-1150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-1150?
Check Price and Availability of 0831-1150, 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 0831-1150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-1150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-1150
  • 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 0831-1150 available by request