D201-0027 Screening compound: 1-(4-bromophenyl)-2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-ol

D201-0027 Screening compound: 1-(4-bromophenyl)-2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-ol
D201-0027 Screening compound: 1-(4-bromophenyl)-2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D201-0027
1-(4-bromophenyl)-2-[(5-methoxy-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

D201-0027

Molecular Formula

C16H15BrN2O2S (C16 H15 BrN2 O2 S)

Compound Name

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

IUPAC name

1-(4-bromophenyl)-2-[(5-methoxy-1H-13-benzodiazol-2-yl)sulfanyl]ethan-1-ol

SMILES

COc(cc1)cc2c1[nH]c(SCC(c(cc1)ccc1Br)O)n2

InChI

InChI=1S/C16H15BrN2O2S/c1-21-12-6-7-13-14(8-12)19-16(18-13)22-9-15(20)10-2-4-11(17)5-3-10/h2-8,15,20H,9H2,1H3,(H,18,19)/t15-/m0/s1

InChI Key

MVOWZAIZESFEDS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02324008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.711

Distribution Coefficient, logD

3.703

Water Solubility, LogSw

-4.07

Polar Surface Area

41.676

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

4.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

D201-0027 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D201-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D201-0027?
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What is the minimum amount of D201-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D201-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D201-0027
  • 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 D201-0027 available by request