3738-4613 Screening compound: N-[4-(3-butoxybenzamido)phenyl]thiophene-2-carboxamide

3738-4613 Screening compound: N-[4-(3-butoxybenzamido)phenyl]thiophene-2-carboxamide
3738-4613 Screening compound: N-[4-(3-butoxybenzamido)phenyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3738-4613
N-[4-(3-butoxybenzamido)phenyl]thiophene-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

3738-4613

Molecular Formula

C22H22N2O3S (C22 H22 N2 O3 S)

Compound Name

N-[4-(3-butoxybenzamido)phenyl]thiophene-2-carboxamide

IUPAC name

N-[4-(3-butoxybenzamido)phenyl]thiophene-2-carboxamide

SMILES

CCCCOc1cccc(C(Nc(cc2)ccc2NC(c2cccs2)=O)=O)c1

InChI

InChI=1S/C22H22N2O3S/c1-2-3-13-27-19-7-4-6-16(15-19)21(25)23-17-9-11-18(12-10-17)24-22(26)20-8-5-14-28-20/h4-12,14-15H,2-3,13H2,1H3,(H,23,25)(H,24,26)

InChI Key

OVQYKMPGGSKZPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02802673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.277

Distribution Coefficient, logD

5.277

Water Solubility, LogSw

-5.08

Polar Surface Area

54.857

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3738-4613 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3738-4613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3738-4613?
Check Price and Availability of 3738-4613, 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 3738-4613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3738-4613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3738-4613
  • 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 3738-4613 available by request