Y031-1690 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-4-acetamido-2-methoxybenzamide

Y031-1690 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-4-acetamido-2-methoxybenzamide
Y031-1690 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-4-acetamido-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1690
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-4-acetamido-2-methoxybenzamide

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

Y031-1690

Molecular Formula

C18H17ClN2O5 (C18 H17 ClN2 O5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-4-acetamido-2-methoxybenzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-5-chloro-4-acetamido-2-methoxybenzamide

SMILES

CC(Nc(cc(c(C(NCc(cc1)cc2c1OCO2)=O)c1)OC)c1Cl)=O

InChI

InChI=1S/C18H17ClN2O5/c1-10(22)21-14-7-16(24-2)12(6-13(14)19)18(23)20-8-11-3-4-15-17(5-11)26-9-25-15/h3-7H,8-9H2,1-2H3,(H,20,23)(H,21,22)

InChI Key

ZASMQBZGPNAALG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06668000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.077

Distribution Coefficient, logD

2.961

Water Solubility, LogSw

-3.46

Polar Surface Area

71.962

Acid Dissociation Constant (pKa)

7.91

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

Y031-1690 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-1690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1690?
Check Price and Availability of Y031-1690, 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 Y031-1690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1690
  • 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 Y031-1690 available by request