Y042-3411 Screening compound: methyl 4-({[1-(2-furylmethyl)-5-oxotetrahydro-1H-pyrrol-3-yl]carbonyl}amino)benzoate

Y042-3411 Screening compound: methyl 4-({[1-(2-furylmethyl)-5-oxotetrahydro-1H-pyrrol-3-yl]carbonyl}amino)benzoate
Y042-3411 Screening compound: methyl 4-({[1-(2-furylmethyl)-5-oxotetrahydro-1H-pyrrol-3-yl]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3411
methyl 4-({[1-(2-furylmethyl)-5-oxotetrahydro-1H-pyrrol-3-yl]carbonyl}amino)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

Y042-3411

Molecular Formula

C18H18N2O5 (C18 H18 N2 O5)

Compound Name

methyl 4-({[1-(2-furylmethyl)-5-oxotetrahydro-1H-pyrrol-3-yl]carbonyl}amino)benzoate

IUPAC name

methyl 4-{1-[(furan-2-yl)methyl]-5-oxopyrrolidine-3-amido}benzoate

SMILES

COC(c(cc1)ccc1NC(C(C1)CN(Cc2ccco2)C1=O)=O)=O

InChI

InChI=1S/C18H18N2O5/c1-24-18(23)12-4-6-14(7-5-12)19-17(22)13-9-16(21)20(10-13)11-15-3-2-8-25-15/h2-8,13H,9-11H2,1H3,(H,19,22)/t13-/m1/s1

InChI Key

LLAZRAAXPGEOFK-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD12212373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.516

Distribution Coefficient, logD

1.515

Water Solubility, LogSw

-1.96

Polar Surface Area

69.448

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

-3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.78

Y042-3411 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 Y042-3411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3411?
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What is the minimum amount of Y042-3411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3411
  • 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 Y042-3411 available by request