3253-7490 Screening compound: 2,6-dimethoxy-4-[(E)-{[2-({1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetamido]imino}methyl]phenyl acetate

3253-7490 Screening compound: 2,6-dimethoxy-4-[(E)-{[2-({1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetamido]imino}methyl]phenyl acetate
3253-7490 Screening compound: 2,6-dimethoxy-4-[(E)-{[2-({1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetamido]imino}methyl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-7490
2,6-dimethoxy-4-[(E)-{[2-({1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetamido]imino}methyl]phenyl 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

3253-7490

Molecular Formula

C28H28N4O5S (C28 H28 N4 O5 S)

Compound Name

2,6-dimethoxy-4-[(E)-{[2-({1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetamido]imino}methyl]phenyl acetate

IUPAC name

26-dimethoxy-4-[(E)-{[2-({1-[(4-methylphenyl)methyl]-1H-13-benzodiazol-2-yl}sulfanyl)acetamido]imino}methyl]phenyl acetate

SMILES

CC(Oc(c(OC)cc(/C=N/NC(CSc1nc(cccc2)c2n1Cc1ccc(C)cc1)=O)c1)c1OC)=O

InChI

InChI=1S/C28H28N4O5S/c1-18-9-11-20(12-10-18)16-32-23-8-6-5-7-22(23)30-28(32)38-17-26(34)31-29-15-21-13-24(35-3)27(37-19(2)33)25(14-21)36-4/h5-15H,16-17H2,1-4H3,(H,31,34)

InChI Key

LYMSLRFUUJQECR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01915852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.024

Distribution Coefficient, logD

5.023

Water Solubility, LogSw

-4.72

Polar Surface Area

82.037

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 3253-7490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-7490?
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What is the minimum amount of 3253-7490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-7490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-7490
  • 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 3253-7490 available by request