3272-0481 Screening compound: tert-butyl 2-{4-[(E)-{[2-(piperidin-1-yl)acetamido]imino}methyl]phenoxy}acetate

3272-0481 Screening compound: tert-butyl 2-{4-[(E)-{[2-(piperidin-1-yl)acetamido]imino}methyl]phenoxy}acetate
3272-0481 Screening compound: tert-butyl 2-{4-[(E)-{[2-(piperidin-1-yl)acetamido]imino}methyl]phenoxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3272-0481
tert-butyl 2-{4-[(E)-{[2-(piperidin-1-yl)acetamido]imino}methyl]phenoxy}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

3272-0481

Molecular Formula

C20H29N3O4 (C20 H29 N3 O4)

Compound Name

tert-butyl 2-{4-[(E)-{[2-(piperidin-1-yl)acetamido]imino}methyl]phenoxy}acetate

IUPAC name

tert-butyl 2-{4-[(E)-{[2-(piperidin-1-yl)acetamido]imino}methyl]phenoxy}acetate

SMILES

CC(C)(C)OC(COc1ccc(/C=N/NC(CN2CCCCC2)=O)cc1)=O

InChI

InChI=1S/C20H29N3O4/c1-20(2,3)27-19(25)15-26-17-9-7-16(8-10-17)13-21-22-18(24)14-23-11-5-4-6-12-23/h7-10,13H,4-6,11-12,14-15H2,1-3H3,(H,22,24)

InChI Key

YUUWDDWQXRHZAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01023537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.932

Distribution Coefficient, logD

2.620

Water Solubility, LogSw

-3.16

Polar Surface Area

66.112

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

7.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

3272-0481 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

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 3272-0481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3272-0481?
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What is the minimum amount of 3272-0481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3272-0481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3272-0481
  • 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 3272-0481 available by request