2076-0011 Screening compound: 2-(2-{[2-(4-PROPOXYPHENOXY)ETHYL]SULFANYL}-1H-1,3-BENZODIAZOL-1-YL)ETHAN-1-OL

2076-0011 Screening compound: 2-(2-{[2-(4-PROPOXYPHENOXY)ETHYL]SULFANYL}-1H-1,3-BENZODIAZOL-1-YL)ETHAN-1-OL
2076-0011 Screening compound: 2-(2-{[2-(4-PROPOXYPHENOXY)ETHYL]SULFANYL}-1H-1,3-BENZODIAZOL-1-YL)ETHAN-1-OL alternative view

Chemical Structure Depiction of ChemDiv screening compound 2076-0011
2-(2-{[2-(4-PROPOXYPHENOXY)ETHYL]SULFANYL}-1H-1,3-BENZODIAZOL-1-YL)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

2076-0011

Molecular Formula

C20H24N2O3S (C20 H24 N2 O3 S)

Compound Name

2-(2-{[2-(4-PROPOXYPHENOXY)ETHYL]SULFANYL}-1H-1,3-BENZODIAZOL-1-YL)ETHAN-1-OL

IUPAC name

2-(2-{[2-(4-propoxyphenoxy)ethyl]sulfanyl}-1H-13-benzodiazol-1-yl)ethan-1-ol

SMILES

CCCOc(cc1)ccc1OCCSc1nc(cccc2)c2n1CCO

InChI

InChI=1S/C20H24N2O3S/c1-2-13-24-16-7-9-17(10-8-16)25-14-15-26-20-21-18-5-3-4-6-19(18)22(20)11-12-23/h3-10,23H,2,11-15H2,1H3

InChI Key

UMUJBPDKNVZJPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01141697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.497

Distribution Coefficient, logD

4.497

Water Solubility, LogSw

-4.15

Polar Surface Area

42.218

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 2076-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2076-0011?
Check Price and Availability of 2076-0011, 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 2076-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2076-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2076-0011
  • 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 2076-0011 available by request