C066-4627 Screening compound: 2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide

C066-4627 Screening compound: 2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
C066-4627 Screening compound: 2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4627
2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]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

C066-4627

Molecular Formula

C23H28ClN5O3 (C23 H28 ClN5 O3)

Compound Name

2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide

IUPAC name

2-[3-(4-chlorophenyl)-4-oxo-4H5H-[12]oxazolo[54-d]pyrimidin-5-yl]-N-[3-(35-dimethylpiperidin-1-yl)propyl]acetamide

SMILES

CC1CN(CCCNC(CN(C=Nc2c3c(-c(cc4)ccc4Cl)no2)C3=O)=O)CC(C)C1

InChI

InChI=1S/C23H28ClN5O3/c1-15-10-16(2)12-28(11-15)9-3-8-25-19(30)13-29-14-26-22-20(23(29)31)21(27-32-22)17-4-6-18(24)7-5-17/h4-7,14-16H,3,8-13H2,1-2H3,(H,25,30)

InChI Key

QNFBKZLBYLFDOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715997

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

457.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.483

Distribution Coefficient, logD

-0.122

Water Solubility, LogSw

-3.75

Polar Surface Area

75.864

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.80

C066-4627 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with C066-4627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4627?
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What is the minimum amount of C066-4627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4627
  • 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 C066-4627 available by request