3253-1233 Screening compound: 4-({[4-(4-chlorophenyl)piperazin-1-yl]imino}methyl)-2,6-dimethoxyphenyl acetate

3253-1233 Screening compound: 4-({[4-(4-chlorophenyl)piperazin-1-yl]imino}methyl)-2,6-dimethoxyphenyl acetate
3253-1233 Screening compound: 4-({[4-(4-chlorophenyl)piperazin-1-yl]imino}methyl)-2,6-dimethoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-1233
4-({[4-(4-chlorophenyl)piperazin-1-yl]imino}methyl)-2,6-dimethoxyphenyl 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

3253-1233

Molecular Formula

C21H24ClN3O4 (C21 H24 ClN3 O4)

Compound Name

4-({[4-(4-chlorophenyl)piperazin-1-yl]imino}methyl)-2,6-dimethoxyphenyl acetate

IUPAC name

4-({[4-(4-chlorophenyl)piperazin-1-yl]imino}methyl)-26-dimethoxyphenyl acetate

SMILES

CC(Oc(c(OC)cc(C=NN(CC1)CCN1c(cc1)ccc1Cl)c1)c1OC)=O

InChI

InChI=1S/C21H24ClN3O4/c1-15(26)29-21-19(27-2)12-16(13-20(21)28-3)14-23-25-10-8-24(9-11-25)18-6-4-17(22)5-7-18/h4-7,12-14H,8-11H2,1-3H3

InChI Key

KJZCMNXSWHYZJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01913155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.703

Distribution Coefficient, logD

3.703

Water Solubility, LogSw

-4.37

Polar Surface Area

52.751

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3253-1233 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3253-1233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-1233?
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What is the minimum amount of 3253-1233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-1233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-1233
  • 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 3253-1233 available by request