Y031-4275 Screening compound: 1-[2-(4-fluorophenyl)ethyl]-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-5-oxopyrrolidine-3-carboxamide

Y031-4275 Screening compound: 1-[2-(4-fluorophenyl)ethyl]-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-5-oxopyrrolidine-3-carboxamide
Y031-4275 Screening compound: 1-[2-(4-fluorophenyl)ethyl]-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4275
1-[2-(4-fluorophenyl)ethyl]-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-5-oxopyrrolidine-3-carboxamide

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

Y031-4275

Molecular Formula

C23H23FN4O3S (C23 H23 FN4 O3 S)

Compound Name

1-[2-(4-fluorophenyl)ethyl]-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-[2-(4-fluorophenyl)ethyl]-N-{5-[(4-methoxyphenyl)methyl]-134-thiadiazol-2-yl}-5-oxopyrrolidine-3-carboxamide

SMILES

COc1ccc(Cc2nnc(NC(C(C3)CN(CCc(cc4)ccc4F)C3=O)=O)s2)cc1

InChI

InChI=1S/C23H23FN4O3S/c1-31-19-8-4-16(5-9-19)12-20-26-27-23(32-20)25-22(30)17-13-21(29)28(14-17)11-10-15-2-6-18(24)7-3-15/h2-9,17H,10-14H2,1H3,(H,25,27,30)/t17-/m0/s1

InChI Key

KYIQZJYWIRMXHZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD08091248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.907

Distribution Coefficient, logD

2.829

Water Solubility, LogSw

-3.43

Polar Surface Area

71.816

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with Y031-4275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4275?
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What is the minimum amount of Y031-4275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4275
  • 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 Y031-4275 available by request