C153-0569 Screening compound: N-butyl-3-methyl-5-(morpholine-4-sulfonyl)-1-benzofuran-2-carboxamide

C153-0569 Screening compound: N-butyl-3-methyl-5-(morpholine-4-sulfonyl)-1-benzofuran-2-carboxamide
C153-0569 Screening compound: N-butyl-3-methyl-5-(morpholine-4-sulfonyl)-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C153-0569
N-butyl-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

C153-0569

Molecular Formula

C18H24N2O5S (C18 H24 N2 O5 S)

Compound Name

N-butyl-3-methyl-5-(morpholine-4-sulfonyl)-1-benzofuran-2-carboxamide

IUPAC name

N-butyl-3-methyl-5-(morpholine-4-sulfonyl)-1-benzofuran-2-carboxamide

SMILES

CCCCNC(c1c(C)c(cc(cc2)S(N3CCOCC3)(=O)=O)c2o1)=O

InChI

InChI=1S/C18H24N2O5S/c1-3-4-7-19-18(21)17-13(2)15-12-14(5-6-16(15)25-17)26(22,23)20-8-10-24-11-9-20/h5-6,12H,3-4,7-11H2,1-2H3,(H,19,21)

InChI Key

HABRQPIFCWUABP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.843

Distribution Coefficient, logD

2.843

Water Solubility, LogSw

-3.33

Polar Surface Area

72.910

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C153-0569 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C153-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C153-0569?
Check Price and Availability of C153-0569, 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 C153-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C153-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C153-0569
  • 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 C153-0569 available by request