Y043-8087 Screening compound: 6-hydroxy-2-[(Z)-1-(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one

Y043-8087 Screening compound: 6-hydroxy-2-[(Z)-1-(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
Y043-8087 Screening compound: 6-hydroxy-2-[(Z)-1-(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8087
6-hydroxy-2-[(Z)-1-(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-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

Y043-8087

Molecular Formula

C18H13NO4 (C18 H13 NO4)

Compound Name

6-hydroxy-2-[(Z)-1-(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one

IUPAC name

(2Z)-6-hydroxy-2-[(5-methoxy-1H-indol-3-yl)methylidene]-23-dihydro-1-benzofuran-3-one

SMILES

COc(cc1)cc2c1[nH]cc2/C=C1\Oc(cc(cc2)O)c2C1=O

InChI

InChI=1S/C18H13NO4/c1-22-12-3-5-15-14(8-12)10(9-19-15)6-17-18(21)13-4-2-11(20)7-16(13)23-17/h2-9,19-20H,1H3

InChI Key

OEKKLBIHYARCAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30181243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.212

Distribution Coefficient, logD

2.984

Water Solubility, LogSw

-3.58

Polar Surface Area

56.395

Acid Dissociation Constant (pKa)

7.56

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.56

Y043-8087 in Drug Discovery

Included in Screening Libraries

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

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-8087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8087?
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What is the minimum amount of Y043-8087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8087
  • 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 Y043-8087 available by request