Y031-6432 Screening compound: 2-ethyl-N-[3-(1,2,3,4-tetrahydroquinoline-1-carbonyl)phenyl]butanamide

Y031-6432 Screening compound: 2-ethyl-N-[3-(1,2,3,4-tetrahydroquinoline-1-carbonyl)phenyl]butanamide
Y031-6432 Screening compound: 2-ethyl-N-[3-(1,2,3,4-tetrahydroquinoline-1-carbonyl)phenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6432
2-ethyl-N-[3-(1,2,3,4-tetrahydroquinoline-1-carbonyl)phenyl]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

Y031-6432

Molecular Formula

C22H26N2O2 (C22 H26 N2 O2)

Compound Name

2-ethyl-N-[3-(1,2,3,4-tetrahydroquinoline-1-carbonyl)phenyl]butanamide

IUPAC name

2-ethyl-N-[3-(1234-tetrahydroquinoline-1-carbonyl)phenyl]butanamide

SMILES

CCC(CC)C(Nc1cccc(C(N(CCC2)c3c2cccc3)=O)c1)=O

InChI

InChI=1S/C22H26N2O2/c1-3-16(4-2)21(25)23-19-12-7-10-18(15-19)22(26)24-14-8-11-17-9-5-6-13-20(17)24/h5-7,9-10,12-13,15-16H,3-4,8,11,14H2,1-2H3,(H,23,25)

InChI Key

NLHOFUZHWWPRDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06151163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.545

Distribution Coefficient, logD

4.545

Water Solubility, LogSw

-4.15

Polar Surface Area

38.914

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

Y031-6432 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y031-6432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6432?
Check Price and Availability of Y031-6432, 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 Y031-6432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6432
  • 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 Y031-6432 available by request