3528-3888 Screening compound: N-[4-(3-butoxybenzamido)-2-methoxyphenyl]-1-benzofuran-2-carboxamide

3528-3888 Screening compound: N-[4-(3-butoxybenzamido)-2-methoxyphenyl]-1-benzofuran-2-carboxamide
3528-3888 Screening compound: N-[4-(3-butoxybenzamido)-2-methoxyphenyl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3528-3888
N-[4-(3-butoxybenzamido)-2-methoxyphenyl]-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

3528-3888

Molecular Formula

C27H26N2O5 (C27 H26 N2 O5)

Compound Name

N-[4-(3-butoxybenzamido)-2-methoxyphenyl]-1-benzofuran-2-carboxamide

IUPAC name

N-[4-(3-butoxybenzamido)-2-methoxyphenyl]-1-benzofuran-2-carboxamide

SMILES

CCCCOc1cccc(C(Nc(cc2)cc(OC)c2NC(c2cc(cccc3)c3o2)=O)=O)c1

InChI

InChI=1S/C27H26N2O5/c1-3-4-14-33-21-10-7-9-19(15-21)26(30)28-20-12-13-22(24(17-20)32-2)29-27(31)25-16-18-8-5-6-11-23(18)34-25/h5-13,15-17H,3-4,14H2,1-2H3,(H,28,30)(H,29,31)

InChI Key

JKYDXDJPZHEILM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02623973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.379

Distribution Coefficient, logD

6.378

Water Solubility, LogSw

-6.40

Polar Surface Area

69.064

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

3528-3888 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3528-3888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3528-3888?
Check Price and Availability of 3528-3888, 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 3528-3888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3528-3888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3528-3888
  • 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 3528-3888 available by request