3123-0060 Screening compound: 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-methoxy-1H-1,3-benzodiazole

3123-0060 Screening compound: 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-methoxy-1H-1,3-benzodiazole
3123-0060 Screening compound: 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-methoxy-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3123-0060
2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-methoxy-1H-1,3-benzodiazole

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

3123-0060

Molecular Formula

C15H12Cl2N2OS (C15 H12 Cl2 N2 OS)

Compound Name

2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-methoxy-1H-1,3-benzodiazole

IUPAC name

n/a

SMILES

COc(cc1)cc2c1[nH]c(SCc(cc1)cc(Cl)c1Cl)n2

InChI

InChI=1S/C15H12Cl2N2OS/c1-20-10-3-5-13-14(7-10)19-15(18-13)21-8-9-2-4-11(16)12(17)6-9/h2-7H,8H2,1H3,(H,18,19)

InChI Key

NXYVCCAJBLVHMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02164278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.24

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

4.815

Distribution Coefficient, logD

4.799

Water Solubility, LogSw

-4.91

Polar Surface Area

25.524

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

3123-0060 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3123-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3123-0060?
Check Price and Availability of 3123-0060, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3123-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3123-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3123-0060
  • 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 3123-0060 available by request