C562-1259 Screening compound: N-(2,5-diethoxyphenyl)-4-methyl-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)pentanamide

C562-1259 Screening compound: N-(2,5-diethoxyphenyl)-4-methyl-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)pentanamide
C562-1259 Screening compound: N-(2,5-diethoxyphenyl)-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 C562-1259
N-(2,5-diethoxyphenyl)-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

C562-1259

Molecular Formula

C24H31N3O7S (C24 H31 N3 O7 S)

Compound Name

N-(2,5-diethoxyphenyl)-4-methyl-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)pentanamide

IUPAC name

N-(25-diethoxyphenyl)-4-methyl-2-(3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamido)pentanamide

SMILES

CCOc(cc1)cc(NC(C(CC(C)C)NS(c(cc2)cc(O3)c2N(C)C3=O)(=O)=O)=O)c1OCC

InChI

InChI=1S/C24H31N3O7S/c1-6-32-16-8-11-21(33-7-2)18(13-16)25-23(28)19(12-15(3)4)26-35(30,31)17-9-10-20-22(14-17)34-24(29)27(20)5/h8-11,13-15,19,26H,6-7,12H2,1-5H3,(H,25,28)/t19-/m0/s1

InChI Key

NKIGPCNQVGLZTA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14772029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.077

Distribution Coefficient, logD

4.070

Water Solubility, LogSw

-4.22

Polar Surface Area

101.705

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

C562-1259 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 C562-1259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C562-1259?
Check Price and Availability of C562-1259, 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 C562-1259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C562-1259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C562-1259
  • 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 C562-1259 available by request