Y042-2666 Screening compound: N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(3,4-dimethoxyphenyl)propanamide

Y042-2666 Screening compound: N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(3,4-dimethoxyphenyl)propanamide
Y042-2666 Screening compound: N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(3,4-dimethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-2666
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(3,4-dimethoxyphenyl)propanamide

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

Y042-2666

Molecular Formula

C22H27NO5 (C22 H27 NO5)

Compound Name

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(3,4-dimethoxyphenyl)propanamide

IUPAC name

N-(56-dimethoxy-23-dihydro-1H-inden-1-yl)-3-(34-dimethoxyphenyl)propanamide

SMILES

COc(ccc(CCC(NC(CC1)c(cc2OC)c1cc2OC)=O)c1)c1OC

InChI

InChI=1S/C22H27NO5/c1-25-18-9-5-14(11-19(18)26-2)6-10-22(24)23-17-8-7-15-12-20(27-3)21(28-4)13-16(15)17/h5,9,11-13,17H,6-8,10H2,1-4H3,(H,23,24)/t17-/m0/s1

InChI Key

QWSUIROBJKWKKM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31756956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.657

Distribution Coefficient, logD

2.657

Water Solubility, LogSw

-2.98

Polar Surface Area

55.170

Acid Dissociation Constant (pKa)

13.62

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

Y042-2666 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y042-2666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-2666?
Check Price and Availability of Y042-2666, 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 Y042-2666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-2666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-2666
  • 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 Y042-2666 available by request