R011-0008 Screening compound: 2-({[5-bromo-2-(4-methylbenzenesulfonamido)phenyl](phenyl)methyl}amino)acetic acid

R011-0008 Screening compound: 2-({[5-bromo-2-(4-methylbenzenesulfonamido)phenyl](phenyl)methyl}amino)acetic acid
R011-0008 Screening compound: 2-({[5-bromo-2-(4-methylbenzenesulfonamido)phenyl](phenyl)methyl}amino)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R011-0008
2-({[5-bromo-2-(4-methylbenzenesulfonamido)phenyl](phenyl)methyl}amino)acetic acid

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

R011-0008

Molecular Formula

C22H21BrN2O4S (C22 H21 BrN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H21BrN2O4S/c1-15-7-10-18(11-8-15)30(28,29)25-20-12-9-17(23)13-19(20)22(24-14-21(26)27)16-5-3-2-4-6-16/h2-13,22,24-25H,14H2,1H3,(H,26,27)/t22-/m0/s1

InChI Key

ZICHOBXDQPYPPG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00525048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.521

Distribution Coefficient, logD

0.800

Water Solubility, LogSw

-3.62

Polar Surface Area

79.483

Acid Dissociation Constant (pKa)

2.81

Base Dissociation Constant (pKb)

6.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

R011-0008 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with R011-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R011-0008?
Check Price and Availability of R011-0008, 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 R011-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R011-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R011-0008
  • 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 R011-0008 available by request