Y040-3224 Screening compound: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1H-indole-2-carboxamide

Y040-3224 Screening compound: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1H-indole-2-carboxamide
Y040-3224 Screening compound: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3224
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1H-indole-2-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

Y040-3224

Molecular Formula

C19H17N3O4 (C19 H17 N3 O4)

Compound Name

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1H-indole-2-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-[(1H-indol-2-yl)formamido]acetamide

SMILES

O=C(CNC(c1cc(cccc2)c2[nH]1)=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C19H17N3O4/c23-18(21-13-5-6-16-17(10-13)26-8-7-25-16)11-20-19(24)15-9-12-3-1-2-4-14(12)22-15/h1-6,9-10,22H,7-8,11H2,(H,20,24)(H,21,23)

InChI Key

VBHHGTWQLXRRGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09857349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.413

Distribution Coefficient, logD

2.413

Water Solubility, LogSw

-3.28

Polar Surface Area

72.973

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

Y040-3224 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Endocrine
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with Y040-3224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3224?
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What is the minimum amount of Y040-3224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3224
  • 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 Y040-3224 available by request