Y042-3835 Screening compound: 1-(2-fluorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-3-pyrrolidinecarboxamide

Y042-3835 Screening compound: 1-(2-fluorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-3-pyrrolidinecarboxamide
Y042-3835 Screening compound: 1-(2-fluorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3835
1-(2-fluorophenyl)-N-[5-(methoxymethyl)-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

Y042-3835

Molecular Formula

C15H15FN4O3S (C15 H15 FN4 O3 S)

Compound Name

1-(2-fluorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

1-(2-fluorophenyl)-N-[5-(methoxymethyl)-134-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

SMILES

COCc1nnc(NC(C(CC2=O)CN2c(cccc2)c2F)=O)s1

InChI

InChI=1S/C15H15FN4O3S/c1-23-8-12-18-19-15(24-12)17-14(22)9-6-13(21)20(7-9)11-5-3-2-4-10(11)16/h2-5,9H,6-8H2,1H3,(H,17,19,22)/t9-/m0/s1

InChI Key

PNOYNEZITUOCCS-VIFPVBQESA-N

MDL Number (MFCD)

MFCD12217078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.37

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

1.181

Distribution Coefficient, logD

0.570

Water Solubility, LogSw

-2.13

Polar Surface Area

72.243

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

Y042-3835 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 Y042-3835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3835?
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What is the minimum amount of Y042-3835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3835
  • 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 Y042-3835 available by request