Y040-9398 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-phenylthiophene-2-carboxamide

Y040-9398 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-phenylthiophene-2-carboxamide
Y040-9398 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-phenylthiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9398
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-phenylthiophene-2-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

Y040-9398

Molecular Formula

C15H13N3O2S2 (C15 H13 N3 O2 S2)

Compound Name

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-phenylthiophene-2-carboxamide

IUPAC name

N-[5-(methoxymethyl)-134-thiadiazol-2-yl]-5-phenylthiophene-2-carboxamide

SMILES

COCc1nnc(NC(c2ccc(-c3ccccc3)s2)=O)s1

InChI

InChI=1S/C15H13N3O2S2/c1-20-9-13-17-18-15(22-13)16-14(19)12-8-7-11(21-12)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,18,19)

InChI Key

UIJIOHXNNGETQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13755812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.854

Distribution Coefficient, logD

3.791

Water Solubility, LogSw

-4.01

Polar Surface Area

56.540

Acid Dissociation Constant (pKa)

8.20

Base Dissociation Constant (pKb)

-4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

Y040-9398 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-9398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9398?
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What is the minimum amount of Y040-9398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9398
  • 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 Y040-9398 available by request