Y041-4540 Screening compound: methyl 2-{[(2Z)-2-[(4-bromophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate

Y041-4540 Screening compound: methyl 2-{[(2Z)-2-[(4-bromophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate
Y041-4540 Screening compound: methyl 2-{[(2Z)-2-[(4-bromophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4540
methyl 2-{[(2Z)-2-[(4-bromophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate

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

Y041-4540

Molecular Formula

C19H15BrO5 (C19 H15 BrO5)

Compound Name

methyl 2-{[(2Z)-2-[(4-bromophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate

IUPAC name

methyl 2-{[(2Z)-2-[(4-bromophenyl)methylidene]-3-oxo-23-dihydro-1-benzofuran-6-yl]oxy}propanoate

SMILES

CC(C(OC)=O)Oc(cc1)cc(O/C2=C\c(cc3)ccc3Br)c1C2=O

InChI

InChI=1S/C19H15BrO5/c1-11(19(22)23-2)24-14-7-8-15-16(10-14)25-17(18(15)21)9-12-3-5-13(20)6-4-12/h3-11H,1-2H3/t11-/m0/s1

InChI Key

HDVOYXXURQRTSK-NSHDSACASA-N

MDL Number (MFCD)

MFCD04163247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.224

Distribution Coefficient, logD

4.224

Water Solubility, LogSw

-4.51

Polar Surface Area

49.326

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with Y041-4540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4540?
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What is the minimum amount of Y041-4540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4540
  • 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 Y041-4540 available by request