2614-0029 Screening compound: 2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

2614-0029 Screening compound: 2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole
2614-0029 Screening compound: 2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2614-0029
2-{[2-(4-tert-butylphenoxy)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

2614-0029

Molecular Formula

C19H22N2OS (C19 H22 N2 OS)

Compound Name

2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

IUPAC name

2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-1H-13-benzodiazole

SMILES

CC(C)(C)c(cc1)ccc1OCCSc1nc(cccc2)c2[nH]1

InChI

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

InChI Key

WLBGEAAHKRWDNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01785208

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

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.225

Distribution Coefficient, logD

5.224

Water Solubility, LogSw

-5.14

Polar Surface Area

25.398

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

2614-0029 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2614-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2614-0029?
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What is the minimum amount of 2614-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2614-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2614-0029
  • 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 2614-0029 available by request