C562-1460 Screening compound: 2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide

C562-1460 Screening compound: 2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide
C562-1460 Screening compound: 2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C562-1460
2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide

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

C562-1460

Molecular Formula

C26H27N3O5S (C26 H27 N3 O5 S)

Compound Name

2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide

IUPAC name

2-(3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamido)-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide

SMILES

Cc1ccc(CCNC(C(Cc2ccccc2)NS(c(cc2)cc(O3)c2N(C)C3=O)(=O)=O)=O)cc1

InChI

InChI=1S/C26H27N3O5S/c1-18-8-10-19(11-9-18)14-15-27-25(30)22(16-20-6-4-3-5-7-20)28-35(32,33)21-12-13-23-24(17-21)34-26(31)29(23)2/h3-13,17,22,28H,14-16H2,1-2H3,(H,27,30)/t22-/m0/s1

InChI Key

KFEMZUYFWMATCJ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14772059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.407

Distribution Coefficient, logD

3.407

Water Solubility, LogSw

-4.08

Polar Surface Area

88.961

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

C562-1460 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C562-1460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C562-1460?
Check Price and Availability of C562-1460, 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 C562-1460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C562-1460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C562-1460
  • 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 C562-1460 available by request