Y042-1966 Screening compound: N-(6-ethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide

Y042-1966 Screening compound: N-(6-ethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide
Y042-1966 Screening compound: N-(6-ethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-1966
N-(6-ethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide

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

Y042-1966

Molecular Formula

C26H26N2O5 (C26 H26 N2 O5)

Compound Name

N-(6-ethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide

IUPAC name

N-(6-ethoxy-2349-tetrahydro-1H-carbazol-1-yl)-2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide

SMILES

CCOc(cc1)cc2c1[nH]c1c2CCCC1NC(CC1=C(C)c(ccc(O)c2)c2OC1=O)=O

InChI

InChI=1S/C26H26N2O5/c1-3-32-16-8-10-21-20(12-16)18-5-4-6-22(25(18)28-21)27-24(30)13-19-14(2)17-9-7-15(29)11-23(17)33-26(19)31/h7-12,22,28-29H,3-6,13H2,1-2H3,(H,27,30)/t22-/m0/s1

InChI Key

RHBWKKLMNBJGCK-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD30344208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.024

Distribution Coefficient, logD

3.995

Water Solubility, LogSw

-4.21

Polar Surface Area

80.155

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.77

Y042-1966 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-1966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-1966?
Check Price and Availability of Y042-1966, 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 Y042-1966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-1966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-1966
  • 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 Y042-1966 available by request