Y031-6666 Screening compound: N-(butan-2-yl)-2,4-dimethoxybenzamide

Y031-6666 Screening compound: N-(butan-2-yl)-2,4-dimethoxybenzamide
Y031-6666 Screening compound: N-(butan-2-yl)-2,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6666
N-(butan-2-yl)-2,4-dimethoxybenzamide

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

Y031-6666

Molecular Formula

C13H19NO3 (C13 H19 NO3)

Compound Name

N-(butan-2-yl)-2,4-dimethoxybenzamide

IUPAC name

N-(butan-2-yl)-24-dimethoxybenzamide

SMILES

CCC(C)NC(c(ccc(OC)c1)c1OC)=O

InChI

InChI=1S/C13H19NO3/c1-5-9(2)14-13(15)11-7-6-10(16-3)8-12(11)17-4/h6-9H,5H2,1-4H3,(H,14,15)/t9-/m0/s1

InChI Key

INFDYEGHDMXGDI-VIFPVBQESA-N

MDL Number (MFCD)

MFCD01215678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.299

Distribution Coefficient, logD

2.299

Water Solubility, LogSw

-2.93

Polar Surface Area

39.539

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.15

Y031-6666 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y031-6666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6666?
Check Price and Availability of Y031-6666, 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 Y031-6666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6666
  • 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 Y031-6666 available by request