D425-2663 Screening compound: 4-methylphenyl 2-{[2-({1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetyl]oxy}acetate

D425-2663 Screening compound: 4-methylphenyl 2-{[2-({1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetyl]oxy}acetate
D425-2663 Screening compound: 4-methylphenyl 2-{[2-({1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetyl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D425-2663
4-methylphenyl 2-{[2-({1-[(2-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

D425-2663

Molecular Formula

C26H24N2O4S (C26 H24 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1OC(COC(CSc1nc(cccc2)c2n1Cc1c(C)cccc1)=O)=O

InChI

InChI=1S/C26H24N2O4S/c1-18-11-13-21(14-12-18)32-24(29)16-31-25(30)17-33-26-27-22-9-5-6-10-23(22)28(26)15-20-8-4-3-7-19(20)2/h3-14H,15-17H2,1-2H3

InChI Key

ZOQLYNZIRKFCEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.55

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

6.246

Distribution Coefficient, logD

6.115

Water Solubility, LogSw

-5.49

Polar Surface Area

51.066

Acid Dissociation Constant (pKa)

19.49

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with D425-2663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D425-2663?
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What is the minimum amount of D425-2663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D425-2663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D425-2663
  • 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 D425-2663 available by request