C562-1491 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-3-phenylpropanamide

C562-1491 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-3-phenylpropanamide
C562-1491 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C562-1491
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-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

C562-1491

Molecular Formula

C25H23N3O7S (C25 H23 N3 O7 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-3-phenylpropanamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-(3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamido)-3-phenylpropanamide

SMILES

CN(c(ccc(S(NC(Cc1ccccc1)C(Nc(cc1)cc2c1OCCO2)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C25H23N3O7S/c1-28-20-9-8-18(15-22(20)35-25(28)30)36(31,32)27-19(13-16-5-3-2-4-6-16)24(29)26-17-7-10-21-23(14-17)34-12-11-33-21/h2-10,14-15,19,27H,11-13H2,1H3,(H,26,29)/t19-/m0/s1

InChI Key

VYSCKYZQDQYYGG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14772068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.433

Distribution Coefficient, logD

2.431

Water Solubility, LogSw

-3.09

Polar Surface Area

103.621

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C562-1491 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C562-1491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C562-1491?
Check Price and Availability of C562-1491, 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 C562-1491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C562-1491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C562-1491
  • 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 C562-1491 available by request