Y042-3780 Screening compound: N-(3-hydroxyphenyl)-1-(2-methoxybenzyl)-5-oxo-3-pyrrolidinecarboxamide

Y042-3780 Screening compound: N-(3-hydroxyphenyl)-1-(2-methoxybenzyl)-5-oxo-3-pyrrolidinecarboxamide
Y042-3780 Screening compound: N-(3-hydroxyphenyl)-1-(2-methoxybenzyl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3780
N-(3-hydroxyphenyl)-1-(2-methoxybenzyl)-5-oxo-3-pyrrolidinecarboxamide

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

Y042-3780

Molecular Formula

C19H20N2O4 (C19 H20 N2 O4)

Compound Name

N-(3-hydroxyphenyl)-1-(2-methoxybenzyl)-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

N-(3-hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

SMILES

COc1c(CN(CC(C2)C(Nc3cc(O)ccc3)=O)C2=O)cccc1

InChI

InChI=1S/C19H20N2O4/c1-25-17-8-3-2-5-13(17)11-21-12-14(9-18(21)23)19(24)20-15-6-4-7-16(22)10-15/h2-8,10,14,22H,9,11-12H2,1H3,(H,20,24)/t14-/m1/s1

InChI Key

QOOZUQVNKDHWIL-CQSZACIVSA-N

MDL Number (MFCD)

MFCD12214915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.516

Distribution Coefficient, logD

1.509

Water Solubility, LogSw

-1.93

Polar Surface Area

65.773

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

Y042-3780 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-3780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3780?
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What is the minimum amount of Y042-3780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3780
  • 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 Y042-3780 available by request