C608-0047 Screening compound: methyl 4-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)benzoate

C608-0047 Screening compound: methyl 4-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)benzoate
C608-0047 Screening compound: methyl 4-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C608-0047
methyl 4-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)benzoate

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

C608-0047

Molecular Formula

C16H14N2O6S (C16 H14 N2 O6 S)

Compound Name

methyl 4-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)benzoate

IUPAC name

methyl 4-(3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamido)benzoate

SMILES

CN(c(ccc(S(Nc(cc1)ccc1C(OC)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C16H14N2O6S/c1-18-13-8-7-12(9-14(13)24-16(18)20)25(21,22)17-11-5-3-10(4-6-11)15(19)23-2/h3-9,17H,1-2H3

InChI Key

IWZIWPPYILHPLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05668388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.294

Distribution Coefficient, logD

2.261

Water Solubility, LogSw

-3.02

Polar Surface Area

84.928

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C608-0047 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human GPCR Annotated Library (5539 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C608-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C608-0047?
Check Price and Availability of C608-0047, 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 C608-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C608-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C608-0047
  • 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 C608-0047 available by request