C562-1194 Screening compound: N-[(2-methoxyphenyl)methyl]-4-methyl-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)pentanamide

C562-1194 Screening compound: N-[(2-methoxyphenyl)methyl]-4-methyl-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)pentanamide
C562-1194 Screening compound: N-[(2-methoxyphenyl)methyl]-4-methyl-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C562-1194
N-[(2-methoxyphenyl)methyl]-4-methyl-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)pentanamide

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

C562-1194

Molecular Formula

C22H27N3O6S (C22 H27 N3 O6 S)

Compound Name

N-[(2-methoxyphenyl)methyl]-4-methyl-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)pentanamide

IUPAC name

N-[(2-methoxyphenyl)methyl]-4-methyl-2-(3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamido)pentanamide

SMILES

CC(C)CC(C(NCc(cccc1)c1OC)=O)NS(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O

InChI

InChI=1S/C22H27N3O6S/c1-14(2)11-17(21(26)23-13-15-7-5-6-8-19(15)30-4)24-32(28,29)16-9-10-18-20(12-16)31-22(27)25(18)3/h5-10,12,14,17,24H,11,13H2,1-4H3,(H,23,26)/t17-/m0/s1

InChI Key

XJYOFQGFNXSRCI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14772015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.857

Distribution Coefficient, logD

2.857

Water Solubility, LogSw

-3.63

Polar Surface Area

97.022

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-2.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

C562-1194 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C562-1194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C562-1194?
Check Price and Availability of C562-1194, 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 C562-1194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C562-1194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C562-1194
  • 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 C562-1194 available by request