3948-0250 Screening compound: 2-({2-[2-(butan-2-yl)phenoxy]ethyl}sulfanyl)-1H-1,3-benzodiazole

3948-0250 Screening compound: 2-({2-[2-(butan-2-yl)phenoxy]ethyl}sulfanyl)-1H-1,3-benzodiazole
3948-0250 Screening compound: 2-({2-[2-(butan-2-yl)phenoxy]ethyl}sulfanyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3948-0250
2-({2-[2-(butan-2-yl)phenoxy]ethyl}sulfanyl)-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

3948-0250

Molecular Formula

C19H22N2OS (C19 H22 N2 OS)

Compound Name

2-({2-[2-(butan-2-yl)phenoxy]ethyl}sulfanyl)-1H-1,3-benzodiazole

IUPAC name

2-({2-[2-(butan-2-yl)phenoxy]ethyl}sulfanyl)-1H-13-benzodiazole

SMILES

CCC(C)c(cccc1)c1OCCSc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C19H22N2OS/c1-3-14(2)15-8-4-7-11-18(15)22-12-13-23-19-20-16-9-5-6-10-17(16)21-19/h4-11,14H,3,12-13H2,1-2H3,(H,20,21)/t14-/m0/s1

InChI Key

COYLDHWRIUZXQB-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14709355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.089

Distribution Coefficient, logD

5.088

Water Solubility, LogSw

-4.86

Polar Surface Area

25.484

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with 3948-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3948-0250?
Check Price and Availability of 3948-0250, 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 3948-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3948-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3948-0250
  • 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 3948-0250 available by request