C562-1552 Screening compound: N-butyl-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-3-phenylpropanamide

C562-1552 Screening compound: N-butyl-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-3-phenylpropanamide
C562-1552 Screening compound: N-butyl-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C562-1552
N-butyl-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

C562-1552

Molecular Formula

C21H25N3O5S (C21 H25 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-3-4-12-22-20(25)17(13-15-8-6-5-7-9-15)23-30(27,28)16-10-11-18-19(14-16)29-21(26)24(18)2/h5-11,14,17,23H,3-4,12-13H2,1-2H3,(H,22,25)/t17-/m0/s1

InChI Key

GBABVVLRNQGHCJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14772080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.863

Distribution Coefficient, logD

2.863

Water Solubility, LogSw

-3.63

Polar Surface Area

89.233

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C562-1552 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 C562-1552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C562-1552?
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What is the minimum amount of C562-1552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C562-1552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C562-1552
  • 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 C562-1552 available by request