Y031-3329 Screening compound: N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-phenylbutanamide

Y031-3329 Screening compound: N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-phenylbutanamide
Y031-3329 Screening compound: N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3329
N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-phenylbutanamide

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

Y031-3329

Molecular Formula

C20H21N3O2S (C20 H21 N3 O2 S)

Compound Name

N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-phenylbutanamide

IUPAC name

N-{5-[(2-methoxyphenyl)methyl]-134-thiadiazol-2-yl}-4-phenylbutanamide

SMILES

COc1c(Cc2nnc(NC(CCCc3ccccc3)=O)s2)cccc1

InChI

InChI=1S/C20H21N3O2S/c1-25-17-12-6-5-11-16(17)14-19-22-23-20(26-19)21-18(24)13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12H,7,10,13-14H2,1H3,(H,21,23,24)

InChI Key

BQKSCOKAZXYTSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07151950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.645

Distribution Coefficient, logD

4.486

Water Solubility, LogSw

-4.51

Polar Surface Area

54.515

Acid Dissociation Constant (pKa)

7.75

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with Y031-3329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3329?
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What is the minimum amount of Y031-3329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3329
  • 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 Y031-3329 available by request