8388-0657 Screening compound: 1-(5-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine

8388-0657 Screening compound: 1-(5-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine
8388-0657 Screening compound: 1-(5-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8388-0657
1-(5-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-2-methylpropan-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

8388-0657

Molecular Formula

C13H15Cl2N3OS (C13 H15 Cl2 N3 OS)

Compound Name

1-(5-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine

IUPAC name

(1S)-1-(5-{[(26-dichlorophenyl)methyl]sulfanyl}-134-oxadiazol-2-yl)-2-methylpropan-1-amine

SMILES

CC(C)[C@@H](c(o1)nnc1SCc(c(Cl)ccc1)c1Cl)N

InChI

InChI=1S/C13H15Cl2N3OS/c1-7(2)11(16)12-17-18-13(19-12)20-6-8-9(14)4-3-5-10(8)15/h3-5,7,11H,6,16H2,1-2H3/t11-/m0/s1

InChI Key

LUMMOJVVZFNNRB-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.25

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

2.290

Distribution Coefficient, logD

1.848

Water Solubility, LogSw

-2.89

Polar Surface Area

51.304

Acid Dissociation Constant (pKa)

24.05

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

8388-0657 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8388-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8388-0657?
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What is the minimum amount of 8388-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8388-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8388-0657
  • 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 8388-0657 available by request