2076-0039 Screening compound: 3-({1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzimidazol-2-yl}sulfanyl)-1,2-propanediol

2076-0039 Screening compound: 3-({1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzimidazol-2-yl}sulfanyl)-1,2-propanediol
2076-0039 Screening compound: 3-({1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzimidazol-2-yl}sulfanyl)-1,2-propanediol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2076-0039
3-({1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzimidazol-2-yl}sulfanyl)-1,2-propanediol

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

2076-0039

Molecular Formula

C19H22N2O3S (C19 H22 N2 O3 S)

Compound Name

3-({1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzimidazol-2-yl}sulfanyl)-1,2-propanediol

IUPAC name

3-({1-[2-(4-methylphenoxy)ethyl]-1H-13-benzodiazol-2-yl}sulfanyl)propane-12-diol

SMILES

Cc(cc1)ccc1OCCn1c(SCC(CO)O)nc2c1cccc2

InChI

InChI=1S/C19H22N2O3S/c1-14-6-8-16(9-7-14)24-11-10-21-18-5-3-2-4-17(18)20-19(21)25-13-15(23)12-22/h2-9,15,22-23H,10-13H2,1H3/t15-/m0/s1

InChI Key

MVIUBXVIBZCERT-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.737

Distribution Coefficient, logD

3.737

Water Solubility, LogSw

-3.74

Polar Surface Area

51.880

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

References: we are preparing a list of scientific research reports with 2076-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2076-0039?
Check Price and Availability of 2076-0039, 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 2076-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2076-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2076-0039
  • 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 2076-0039 available by request