D334-0154 Screening compound: 2-(5-{[(4-bromophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethan-1-amine

D334-0154 Screening compound: 2-(5-{[(4-bromophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethan-1-amine
D334-0154 Screening compound: 2-(5-{[(4-bromophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethan-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D334-0154
2-(5-{[(4-bromophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethan-1-amine

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

D334-0154

Molecular Formula

C11H12BrN3OS (C11 H12 BrN3 OS)

Compound Name

2-(5-{[(4-bromophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethan-1-amine

IUPAC name

2-(5-{[(4-bromophenyl)methyl]sulfanyl}-134-oxadiazol-2-yl)ethan-1-amine

SMILES

NCCc(o1)nnc1SCc(cc1)ccc1Br

InChI

InChI=1S/C11H12BrN3OS/c12-9-3-1-8(2-4-9)7-17-11-15-14-10(16-11)5-6-13/h1-4H,5-7,13H2

InChI Key

NMYGZVXFSCYUGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13817813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.21

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.408

Distribution Coefficient, logD

-0.327

Water Solubility, LogSw

-1.94

Polar Surface Area

51.157

Acid Dissociation Constant (pKa)

24.21

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D334-0154 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D334-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D334-0154?
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What is the minimum amount of D334-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D334-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D334-0154
  • 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 D334-0154 available by request