D058-0133 Screening compound: 5-bromo-2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

D058-0133 Screening compound: 5-bromo-2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole
D058-0133 Screening compound: 5-bromo-2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D058-0133
5-bromo-2-{[2-(4-methoxyphenoxy)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

D058-0133

Molecular Formula

C16H15BrN2O2S (C16 H15 BrN2 O2 S)

Compound Name

5-bromo-2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

IUPAC name

5-bromo-2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-1H-13-benzodiazole

SMILES

COc(cc1)ccc1OCCSc1nc(cc(cc2)Br)c2[nH]1

InChI

InChI=1S/C16H15BrN2O2S/c1-20-12-3-5-13(6-4-12)21-8-9-22-16-18-14-7-2-11(17)10-15(14)19-16/h2-7,10H,8-9H2,1H3,(H,18,19)

InChI Key

VJEFVNMYASGZHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05838210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.194

Distribution Coefficient, logD

4.193

Water Solubility, LogSw

-4.30

Polar Surface Area

32.941

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D058-0133 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D058-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D058-0133?
Check Price and Availability of D058-0133, 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 D058-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D058-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D058-0133
  • 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 D058-0133 available by request