3254-2638 Screening compound: 2-{2-[({4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl}imino)methyl]phenoxy}acetic acid

3254-2638 Screening compound: 2-{2-[({4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl}imino)methyl]phenoxy}acetic acid
3254-2638 Screening compound: 2-{2-[({4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl}imino)methyl]phenoxy}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-2638
2-{2-[({4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl}imino)methyl]phenoxy}acetic acid

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

3254-2638

Molecular Formula

C22H27N3O3 (C22 H27 N3 O3)

Compound Name

2-{2-[({4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl}imino)methyl]phenoxy}acetic acid

IUPAC name

2-{2-[({4-[(24-dimethylphenyl)methyl]piperazin-1-yl}imino)methyl]phenoxy}acetic acid

SMILES

Cc1cc(C)c(CN(CC2)CCN2N=Cc(cccc2)c2OCC(O)=O)cc1

InChI

InChI=1S/C22H27N3O3/c1-17-7-8-20(18(2)13-17)15-24-9-11-25(12-10-24)23-14-19-5-3-4-6-21(19)28-16-22(26)27/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,26,27)

InChI Key

MJUYXQUWGROUCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02075220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.028

Distribution Coefficient, logD

4.028

Water Solubility, LogSw

-3.94

Polar Surface Area

52.816

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

3254-2638 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3254-2638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-2638?
Check Price and Availability of 3254-2638, 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 3254-2638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-2638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-2638
  • 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 3254-2638 available by request