C153-0598 Screening compound: N-[(2-methoxyphenyl)methyl]-3-methyl-5-(morpholine-4-sulfonyl)-1-benzofuran-2-carboxamide

C153-0598 Screening compound: N-[(2-methoxyphenyl)methyl]-3-methyl-5-(morpholine-4-sulfonyl)-1-benzofuran-2-carboxamide
C153-0598 Screening compound: N-[(2-methoxyphenyl)methyl]-3-methyl-5-(morpholine-4-sulfonyl)-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C153-0598
N-[(2-methoxyphenyl)methyl]-3-methyl-5-(morpholine-4-sulfonyl)-1-benzofuran-2-carboxamide

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

C153-0598

Molecular Formula

C22H24N2O6S (C22 H24 N2 O6 S)

Compound Name

N-[(2-methoxyphenyl)methyl]-3-methyl-5-(morpholine-4-sulfonyl)-1-benzofuran-2-carboxamide

IUPAC name

N-[(2-methoxyphenyl)methyl]-3-methyl-5-(morpholine-4-sulfonyl)-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(NCc(cccc2)c2OC)=O)oc(cc2)c1cc2S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C22H24N2O6S/c1-15-18-13-17(31(26,27)24-9-11-29-12-10-24)7-8-20(18)30-21(15)22(25)23-14-16-5-3-4-6-19(16)28-2/h3-8,13H,9-12,14H2,1-2H3,(H,23,25)

InChI Key

AXGBIOYDYFLZIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.252

Distribution Coefficient, logD

3.252

Water Solubility, LogSw

-3.56

Polar Surface Area

80.428

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C153-0598 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C153-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C153-0598?
Check Price and Availability of C153-0598, 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 C153-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C153-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C153-0598
  • 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 C153-0598 available by request