Y031-9615 Screening compound: N-(3-chloropropyl)-3,4-dimethylbenzamide

Y031-9615 Screening compound: N-(3-chloropropyl)-3,4-dimethylbenzamide
Y031-9615 Screening compound: N-(3-chloropropyl)-3,4-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9615
N-(3-chloropropyl)-3,4-dimethylbenzamide

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

Y031-9615

Molecular Formula

C12H16ClNO (C12 H16 ClNO)

Compound Name

N-(3-chloropropyl)-3,4-dimethylbenzamide

IUPAC name

N-(3-chloropropyl)-34-dimethylbenzamide

SMILES

Cc(cc1)c(C)cc1C(NCCCCl)=O

InChI

InChI=1S/C12H16ClNO/c1-9-4-5-11(8-10(9)2)12(15)14-7-3-6-13/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)

InChI Key

VZQWDWDQTIMFOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01216037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

225.72

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.938

Distribution Coefficient, logD

2.938

Water Solubility, LogSw

-3.11

Polar Surface Area

24.765

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

Y031-9615 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-9615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9615?
Check Price and Availability of Y031-9615, 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 Y031-9615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9615
  • 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 Y031-9615 available by request