1771-0051 Screening compound: 1-[(5-methoxy-1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]propan-2-ol

1771-0051 Screening compound: 1-[(5-methoxy-1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]propan-2-ol
1771-0051 Screening compound: 1-[(5-methoxy-1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1771-0051
1-[(5-methoxy-1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]propan-2-ol

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

1771-0051

Molecular Formula

C12H16N2O2S (C12 H16 N2 O2 S)

Compound Name

1-[(5-methoxy-1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]propan-2-ol

IUPAC name

1-[(5-methoxy-1-methyl-1H-13-benzodiazol-2-yl)sulfanyl]propan-2-ol

SMILES

CC(CSc1nc(cc(cc2)OC)c2n1C)O

InChI

InChI=1S/C12H16N2O2S/c1-8(15)7-17-12-13-10-6-9(16-3)4-5-11(10)14(12)2/h4-6,8,15H,7H2,1-3H3/t8-/m0/s1

InChI Key

XKAYNWLVQIYLCJ-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD01051350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.010

Distribution Coefficient, logD

2.002

Water Solubility, LogSw

-2.54

Polar Surface Area

35.852

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

1771-0051 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 1771-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1771-0051?
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What is the minimum amount of 1771-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1771-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1771-0051
  • 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 1771-0051 available by request