D058-0255 Screening compound: 3-({1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)propanoic acid

D058-0255 Screening compound: 3-({1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)propanoic acid
D058-0255 Screening compound: 3-({1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D058-0255
3-({1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)propanoic acid

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

D058-0255

Molecular Formula

C19H20N2O3S (C19 H20 N2 O3 S)

Compound Name

3-({1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)propanoic acid

IUPAC name

3-({1-[2-(3-methylphenoxy)ethyl]-1H-13-benzodiazol-2-yl}sulfanyl)propanoic acid

SMILES

Cc1cccc(OCCn2c(SCCC(O)=O)nc3c2cccc3)c1

InChI

InChI=1S/C19H20N2O3S/c1-14-5-4-6-15(13-14)24-11-10-21-17-8-3-2-7-16(17)20-19(21)25-12-9-18(22)23/h2-8,13H,9-12H2,1H3,(H,22,23)

InChI Key

ZWORVFKSQCRWEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01785171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.260

Distribution Coefficient, logD

1.564

Water Solubility, LogSw

-4.20

Polar Surface Area

46.529

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with D058-0255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D058-0255?
Check Price and Availability of D058-0255, 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 D058-0255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D058-0255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D058-0255
  • 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 D058-0255 available by request