C608-0031 Screening compound: 3-methyl-2-oxo-N-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

C608-0031 Screening compound: 3-methyl-2-oxo-N-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
C608-0031 Screening compound: 3-methyl-2-oxo-N-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C608-0031
3-methyl-2-oxo-N-(3,4,5-trimethoxyphenyl)-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

C608-0031

Molecular Formula

C17H18N2O7S (C17 H18 N2 O7 S)

Compound Name

3-methyl-2-oxo-N-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

IUPAC name

3-methyl-2-oxo-N-(345-trimethoxyphenyl)-23-dihydro-13-benzoxazole-6-sulfonamide

SMILES

CN(c(ccc(S(Nc(cc1OC)cc(OC)c1OC)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C17H18N2O7S/c1-19-12-6-5-11(9-13(12)26-17(19)20)27(21,22)18-10-7-14(23-2)16(25-4)15(8-10)24-3/h5-9,18H,1-4H3

InChI Key

ZMKACOXQJRACQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06605150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.412

Distribution Coefficient, logD

1.293

Water Solubility, LogSw

-2.55

Polar Surface Area

86.732

Acid Dissociation Constant (pKa)

7.90

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C608-0031 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C608-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C608-0031?
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What is the minimum amount of C608-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C608-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C608-0031
  • 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 C608-0031 available by request