Y042-3320 Screening compound: ethyl 4-(2-oxo-4-{[(2-oxo-2H-chromen-6-yl)amino]carbonyl}-1-pyrrolidinyl)benzoate

Y042-3320 Screening compound: ethyl 4-(2-oxo-4-{[(2-oxo-2H-chromen-6-yl)amino]carbonyl}-1-pyrrolidinyl)benzoate
Y042-3320 Screening compound: ethyl 4-(2-oxo-4-{[(2-oxo-2H-chromen-6-yl)amino]carbonyl}-1-pyrrolidinyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3320
ethyl 4-(2-oxo-4-{[(2-oxo-2H-chromen-6-yl)amino]carbonyl}-1-pyrrolidinyl)benzoate

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

Y042-3320

Molecular Formula

C23H20N2O6 (C23 H20 N2 O6)

Compound Name

ethyl 4-(2-oxo-4-{[(2-oxo-2H-chromen-6-yl)amino]carbonyl}-1-pyrrolidinyl)benzoate

IUPAC name

ethyl 4-{2-oxo-4-[(2-oxo-2H-chromen-6-yl)carbamoyl]pyrrolidin-1-yl}benzoate

SMILES

CCOC(c(cc1)ccc1N(CC(C1)C(Nc(cc2)cc(C=C3)c2OC3=O)=O)C1=O)=O

InChI

InChI=1S/C23H20N2O6/c1-2-30-23(29)14-3-7-18(8-4-14)25-13-16(12-20(25)26)22(28)24-17-6-9-19-15(11-17)5-10-21(27)31-19/h3-11,16H,2,12-13H2,1H3,(H,24,28)/t16-/m0/s1

InChI Key

WGPAUQQPCPNFFC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD12206760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.416

Distribution Coefficient, logD

2.416

Water Solubility, LogSw

-3.12

Polar Surface Area

81.241

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-3.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.74

Y042-3320 in Drug Discovery

Included in Screening Libraries

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 Y042-3320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3320?
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What is the minimum amount of Y042-3320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3320
  • 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 Y042-3320 available by request