5591-3263 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-methoxybenzenesulfonyl)butanamide

5591-3263 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-methoxybenzenesulfonyl)butanamide
5591-3263 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-methoxybenzenesulfonyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-3263
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-methoxybenzenesulfonyl)butanamide

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

5591-3263

Molecular Formula

C22H23NO6S (C22 H23 NO6 S)

Compound Name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-methoxybenzenesulfonyl)butanamide

IUPAC name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-methoxybenzenesulfonyl)butanamide

SMILES

CCCC(N(c(cc1)cc2c1oc(C)c2C(C)=O)S(c(cc1)ccc1OC)(=O)=O)=O

InChI

InChI=1S/C22H23NO6S/c1-5-6-21(25)23(30(26,27)18-10-8-17(28-4)9-11-18)16-7-12-20-19(13-16)22(14(2)24)15(3)29-20/h7-13H,5-6H2,1-4H3

InChI Key

YKXMMCYWUJTGFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03472268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.000

Distribution Coefficient, logD

4.000

Water Solubility, LogSw

-4.31

Polar Surface Area

74.608

Acid Dissociation Constant (pKa)

20.98

Base Dissociation Constant (pKb)

-15.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

5591-3263 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 5591-3263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-3263?
Check Price and Availability of 5591-3263, 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 5591-3263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-3263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-3263
  • 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 5591-3263 available by request