5532-1072 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

5532-1072 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
5532-1072 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5532-1072
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

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

5532-1072

Molecular Formula

C19H29ClN2O2 (C19 H29 ClN2 O2)

Compound Name

2-(4-chloro-3,5-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

IUPAC name

2-(4-chloro-35-dimethylphenoxy)-N-(2266-tetramethylpiperidin-4-yl)acetamide

SMILES

CC(C)(C1)NC(C)(C)CC1NC(COc(cc1C)cc(C)c1Cl)=O

InChI

InChI=1S/C19H29ClN2O2/c1-12-7-15(8-13(2)17(12)20)24-11-16(23)21-14-9-18(3,4)22-19(5,6)10-14/h7-8,14,22H,9-11H2,1-6H3,(H,21,23)

InChI Key

KNKLBNJGVXEKLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01985909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.458

Distribution Coefficient, logD

-0.203

Water Solubility, LogSw

-3.96

Polar Surface Area

42.784

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

11.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

5532-1072 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5532-1072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5532-1072?
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What is the minimum amount of 5532-1072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5532-1072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5532-1072
  • 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 5532-1072 available by request