C697-1004 Screening compound: 3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-N-[2-(4-methylphenyl)ethyl]propanamide

C697-1004 Screening compound: 3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-N-[2-(4-methylphenyl)ethyl]propanamide
C697-1004 Screening compound: 3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-N-[2-(4-methylphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C697-1004
3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-N-[2-(4-methylphenyl)ethyl]propanamide

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

C697-1004

Molecular Formula

C20H23N3O5S (C20 H23 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-14-3-5-15(6-4-14)9-11-21-19(24)10-12-22-29(26,27)16-7-8-17-18(13-16)28-20(25)23(17)2/h3-8,13,22H,9-12H2,1-2H3,(H,21,24)

InChI Key

VCMOUKRNRJUVOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.655

Distribution Coefficient, logD

1.655

Water Solubility, LogSw

-2.64

Polar Surface Area

89.017

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C697-1004 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

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

Included in 1.7M Stock Database

Structure:
  • 3D
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 C697-1004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C697-1004?
Check Price and Availability of C697-1004, 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 C697-1004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C697-1004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C697-1004
  • 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 C697-1004 available by request