Y031-2597 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-propanamidobenzamide

Y031-2597 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-propanamidobenzamide
Y031-2597 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-propanamidobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2597
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-propanamidobenzamide

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

Y031-2597

Molecular Formula

C18H18N2O4 (C18 H18 N2 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-propanamidobenzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-propanamidobenzamide

SMILES

CCC(Nc1cccc(C(NCc(cc2)cc3c2OCO3)=O)c1)=O

InChI

InChI=1S/C18H18N2O4/c1-2-17(21)20-14-5-3-4-13(9-14)18(22)19-10-12-6-7-15-16(8-12)24-11-23-15/h3-9H,2,10-11H2,1H3,(H,19,22)(H,20,21)

InChI Key

VNVSNSFJQHHSHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07133554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.610

Distribution Coefficient, logD

2.610

Water Solubility, LogSw

-3.04

Polar Surface Area

64.917

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with Y031-2597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2597?
Check Price and Availability of Y031-2597, 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 Y031-2597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2597
  • 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 Y031-2597 available by request