C562-1411 Screening compound: N-(4-ethylphenyl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-3-phenylpropanamide

C562-1411 Screening compound: N-(4-ethylphenyl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-3-phenylpropanamide
C562-1411 Screening compound: N-(4-ethylphenyl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C562-1411
N-(4-ethylphenyl)-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

C562-1411

Molecular Formula

C25H25N3O5S (C25 H25 N3 O5 S)

Compound Name

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

IUPAC name

N-(4-ethylphenyl)-2-(3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamido)-3-phenylpropanamide

SMILES

CCc(cc1)ccc1NC(C(Cc1ccccc1)NS(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O)=O

InChI

InChI=1S/C25H25N3O5S/c1-3-17-9-11-19(12-10-17)26-24(29)21(15-18-7-5-4-6-8-18)27-34(31,32)20-13-14-22-23(16-20)33-25(30)28(22)2/h4-14,16,21,27H,3,15H2,1-2H3,(H,26,29)/t21-/m0/s1

InChI Key

XHANYCACVHECDJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14772050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.56

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

4.391

Distribution Coefficient, logD

4.391

Water Solubility, LogSw

-4.28

Polar Surface Area

87.798

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C562-1411 in Drug Discovery

Included in Screening Libraries

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 C562-1411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C562-1411?
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What is the minimum amount of C562-1411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C562-1411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C562-1411
  • 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 C562-1411 available by request