Y040-5961 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

Y040-5961 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
Y040-5961 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5961
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

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

Y040-5961

Molecular Formula

C22H24N2O6 (C22 H24 N2 O6)

Compound Name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-(23-dihydro-14-benzodioxin-6-yl)-N-[(34-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

SMILES

COc(ccc(CNC(C(CC1=O)CN1c(cc1)cc2c1OCCO2)=O)c1)c1OC

InChI

InChI=1S/C22H24N2O6/c1-27-17-5-3-14(9-19(17)28-2)12-23-22(26)15-10-21(25)24(13-15)16-4-6-18-20(11-16)30-8-7-29-18/h3-6,9,11,15H,7-8,10,12-13H2,1-2H3,(H,23,26)/t15-/m1/s1

InChI Key

YWIVHUZPKWTOAH-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD12211383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.632

Distribution Coefficient, logD

0.632

Water Solubility, LogSw

-1.98

Polar Surface Area

72.486

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

References: we are preparing a list of scientific research reports with Y040-5961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5961?
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What is the minimum amount of Y040-5961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5961
  • 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 Y040-5961 available by request