Y042-3777 Screening compound: 1-(2-methoxybenzyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide

Y042-3777 Screening compound: 1-(2-methoxybenzyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide
Y042-3777 Screening compound: 1-(2-methoxybenzyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3777
1-(2-methoxybenzyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-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

Y042-3777

Molecular Formula

C16H18N4O3S (C16 H18 N4 O3 S)

Compound Name

1-(2-methoxybenzyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

1-[(2-methoxyphenyl)methyl]-N-(5-methyl-134-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

SMILES

Cc1nnc(NC(C(C2)CN(Cc(cccc3)c3OC)C2=O)=O)s1

InChI

InChI=1S/C16H18N4O3S/c1-10-18-19-16(24-10)17-15(22)12-7-14(21)20(9-12)8-11-5-3-4-6-13(11)23-2/h3-6,12H,7-9H2,1-2H3,(H,17,19,22)/t12-/m0/s1

InChI Key

HHAGCUVOCNYMMW-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD12212476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.138

Distribution Coefficient, logD

0.860

Water Solubility, LogSw

-2.27

Polar Surface Area

71.507

Acid Dissociation Constant (pKa)

7.45

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

Y042-3777 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 Y042-3777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3777?
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What is the minimum amount of Y042-3777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3777
  • 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 Y042-3777 available by request