4483-1817 Screening compound: 2-isopropyl-5-methylcyclohexyl 2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]acetate

4483-1817 Screening compound: 2-isopropyl-5-methylcyclohexyl 2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]acetate
4483-1817 Screening compound: 2-isopropyl-5-methylcyclohexyl 2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-1817
2-isopropyl-5-methylcyclohexyl 2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]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

4483-1817

Molecular Formula

C30H33NO4 (C30 H33 NO4)

Compound Name

2-isopropyl-5-methylcyclohexyl 2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]acetate

IUPAC name

5-methyl-2-(propan-2-yl)cyclohexyl 2-{1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2469(14)1012-hexaen-17-yl}acetate

SMILES

CC(C)C(CCC(C)C1)C1OC(CN(C(C(C1C2c3c4cccc3)C4c3c2cccc3)=O)C1=O)=O

InChI

InChI=1S/C30H33NO4/c1-16(2)18-13-12-17(3)14-23(18)35-24(32)15-31-29(33)27-25-19-8-4-5-9-20(19)26(28(27)30(31)34)22-11-7-6-10-21(22)25/h4-11,16-18,23,25-28H,12-15H2,1-3H3

InChI Key

XQDKSIJKSOWUJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01174710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.551

Distribution Coefficient, logD

5.551

Water Solubility, LogSw

-5.37

Polar Surface Area

48.764

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

-10.85

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

50.00

4483-1817 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4483-1817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-1817?
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What is the minimum amount of 4483-1817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-1817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-1817
  • 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 4483-1817 available by request