D201-0029 Screening compound: 1-(4-bromophenyl)-2-[(1,5-dimethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-ol

D201-0029 Screening compound: 1-(4-bromophenyl)-2-[(1,5-dimethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-ol
D201-0029 Screening compound: 1-(4-bromophenyl)-2-[(1,5-dimethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D201-0029
1-(4-bromophenyl)-2-[(1,5-dimethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-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

D201-0029

Molecular Formula

C17H17BrN2OS (C17 H17 BrN2 OS)

Compound Name

1-(4-bromophenyl)-2-[(1,5-dimethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-ol

IUPAC name

1-(4-bromophenyl)-2-[(15-dimethyl-1H-13-benzodiazol-2-yl)sulfanyl]ethan-1-ol

SMILES

Cc(cc1)cc2c1n(C)c(SCC(c(cc1)ccc1Br)O)n2

InChI

InChI=1S/C17H17BrN2OS/c1-11-3-8-15-14(9-11)19-17(20(15)2)22-10-16(21)12-4-6-13(18)7-5-12/h3-9,16,21H,10H2,1-2H3/t16-/m0/s1

InChI Key

RQAUYVPLKIFWCN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14813737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.560

Distribution Coefficient, logD

4.558

Water Solubility, LogSw

-4.40

Polar Surface Area

27.711

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

4.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

D201-0029 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D201-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D201-0029?
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What is the minimum amount of D201-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D201-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D201-0029
  • 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 D201-0029 available by request