4356-0555 Screening compound: 2-methoxyethyl 5-[(1-methoxy-1-oxopropan-2-yl)oxy]-2-methyl-1-benzofuran-3-carboxylate

4356-0555 Screening compound: 2-methoxyethyl 5-[(1-methoxy-1-oxopropan-2-yl)oxy]-2-methyl-1-benzofuran-3-carboxylate
4356-0555 Screening compound: 2-methoxyethyl 5-[(1-methoxy-1-oxopropan-2-yl)oxy]-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4356-0555
2-methoxyethyl 5-[(1-methoxy-1-oxopropan-2-yl)oxy]-2-methyl-1-benzofuran-3-carboxylate

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

4356-0555

Molecular Formula

C17H20O7 (C17 H20 O7)

Compound Name

2-methoxyethyl 5-[(1-methoxy-1-oxopropan-2-yl)oxy]-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

2-methoxyethyl 5-[(1-methoxy-1-oxopropan-2-yl)oxy]-2-methyl-1-benzofuran-3-carboxylate

SMILES

CC(C(OC)=O)Oc(cc1)cc2c1oc(C)c2C(OCCOC)=O

InChI

InChI=1S/C17H20O7/c1-10-15(17(19)22-8-7-20-3)13-9-12(5-6-14(13)24-10)23-11(2)16(18)21-4/h5-6,9,11H,7-8H2,1-4H3/t11-/m0/s1

InChI Key

DOGAOKIXIJDRBC-NSHDSACASA-N

MDL Number (MFCD)

MFCD01844480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.961

Distribution Coefficient, logD

1.961

Water Solubility, LogSw

-2.32

Polar Surface Area

65.539

Acid Dissociation Constant (pKa)

21.53

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

4356-0555 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 4356-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4356-0555?
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What is the minimum amount of 4356-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4356-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4356-0555
  • 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 4356-0555 available by request