Y040-3177 Screening compound: 1-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethan-1-one

Y040-3177 Screening compound: 1-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethan-1-one
Y040-3177 Screening compound: 1-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3177
1-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethan-1-one

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

Y040-3177

Molecular Formula

C23H23N3O4 (C23 H23 N3 O4)

Compound Name

1-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethan-1-one

IUPAC name

1-[4-(23-dihydro-14-benzodioxine-2-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethan-1-one

SMILES

O=C(Cc1c[nH]c2c1cccc2)N(CC1)CCN1C(C1Oc(cccc2)c2OC1)=O

InChI

InChI=1S/C23H23N3O4/c27-22(13-16-14-24-18-6-2-1-5-17(16)18)25-9-11-26(12-10-25)23(28)21-15-29-19-7-3-4-8-20(19)30-21/h1-8,14,21,24H,9-13,15H2/t21-/m0/s1

InChI Key

WQONXDSHKKUWNJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD08749347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.466

Distribution Coefficient, logD

2.466

Water Solubility, LogSw

-2.75

Polar Surface Area

58.123

Acid Dissociation Constant (pKa)

18.35

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.43

Y040-3177 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with Y040-3177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3177?
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What is the minimum amount of Y040-3177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3177
  • 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 Y040-3177 available by request