3254-1108 Screening compound: 4-[(E)-{[2-({1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetamido]imino}methyl]-2-methoxyphenyl acetate

3254-1108 Screening compound: 4-[(E)-{[2-({1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetamido]imino}methyl]-2-methoxyphenyl acetate
3254-1108 Screening compound: 4-[(E)-{[2-({1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetamido]imino}methyl]-2-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-1108
4-[(E)-{[2-({1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetamido]imino}methyl]-2-methoxyphenyl 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

3254-1108

Molecular Formula

C26H23ClN4O4S (C26 H23 ClN4 O4 S)

Compound Name

4-[(E)-{[2-({1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetamido]imino}methyl]-2-methoxyphenyl acetate

IUPAC name

4-[(E)-{[2-({1-[(4-chlorophenyl)methyl]-1H-13-benzodiazol-2-yl}sulfanyl)acetamido]imino}methyl]-2-methoxyphenyl acetate

SMILES

CC(Oc(ccc(/C=N/NC(CSc1nc(cccc2)c2n1Cc(cc1)ccc1Cl)=O)c1)c1OC)=O

InChI

InChI=1S/C26H23ClN4O4S/c1-17(32)35-23-12-9-19(13-24(23)34-2)14-28-30-25(33)16-36-26-29-21-5-3-4-6-22(21)31(26)15-18-7-10-20(27)11-8-18/h3-14H,15-16H2,1-2H3,(H,30,33)

InChI Key

TWCQETLVQRVPCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02077164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.01

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.293

Distribution Coefficient, logD

5.293

Water Solubility, LogSw

-6.11

Polar Surface Area

74.319

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 3254-1108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-1108?
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What is the minimum amount of 3254-1108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-1108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-1108
  • 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 3254-1108 available by request