C562-1242 Screening compound: N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

C562-1242 Screening compound: N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
C562-1242 Screening compound: N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C562-1242
N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

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

C562-1242

Molecular Formula

C25H32N4O6S (C25 H32 N4 O6 S)

Compound Name

N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

IUPAC name

N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl}-3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamide

SMILES

CC(C)CC(C(N(CC1)CCN1c(cc1)ccc1OC)=O)NS(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O

InChI

InChI=1S/C25H32N4O6S/c1-17(2)15-21(26-36(32,33)20-9-10-22-23(16-20)35-25(31)27(22)3)24(30)29-13-11-28(12-14-29)18-5-7-19(34-4)8-6-18/h5-10,16-17,21,26H,11-15H2,1-4H3/t21-/m0/s1

InChI Key

WANILIRSKDQERH-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14772025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.226

Distribution Coefficient, logD

3.225

Water Solubility, LogSw

-4.00

Polar Surface Area

92.430

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C562-1242 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C562-1242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C562-1242?
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What is the minimum amount of C562-1242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C562-1242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C562-1242
  • 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 C562-1242 available by request