D425-2842 Screening compound: phenyl 2-{[2-({1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetyl]oxy}acetate

D425-2842 Screening compound: phenyl 2-{[2-({1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetyl]oxy}acetate
D425-2842 Screening compound: phenyl 2-{[2-({1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetyl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D425-2842
phenyl 2-{[2-({1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetyl]oxy}acetate

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

D425-2842

Molecular Formula

C25H22N2O4S (C25 H22 N2 O4 S)

Compound Name

phenyl 2-{[2-({1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetyl]oxy}acetate

IUPAC name

phenyl 2-{[2-({1-[(3-methylphenyl)methyl]-1H-13-benzodiazol-2-yl}sulfanyl)acetyl]oxy}acetate

SMILES

Cc1cccc(Cn2c(SCC(OCC(Oc3ccccc3)=O)=O)nc3c2cccc3)c1

InChI

InChI=1S/C25H22N2O4S/c1-18-8-7-9-19(14-18)15-27-22-13-6-5-12-21(22)26-25(27)32-17-24(29)30-16-23(28)31-20-10-3-2-4-11-20/h2-14H,15-17H2,1H3

InChI Key

HOFCNYRFGPZRKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.685

Distribution Coefficient, logD

5.658

Water Solubility, LogSw

-5.43

Polar Surface Area

51.066

Acid Dissociation Constant (pKa)

19.49

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with D425-2842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D425-2842?
Check Price and Availability of D425-2842, 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 D425-2842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D425-2842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D425-2842
  • 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 D425-2842 available by request