8017-0971 Screening compound: 4-(tert-butyl)cyclohexyl 5-{[1-(2-chlorophenyl)-3-ethoxy-3-oxopropyl]amino}-5-oxopentanoate

8017-0971 Screening compound: 4-(tert-butyl)cyclohexyl 5-{[1-(2-chlorophenyl)-3-ethoxy-3-oxopropyl]amino}-5-oxopentanoate
8017-0971 Screening compound: 4-(tert-butyl)cyclohexyl 5-{[1-(2-chlorophenyl)-3-ethoxy-3-oxopropyl]amino}-5-oxopentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0971
4-(tert-butyl)cyclohexyl 5-{[1-(2-chlorophenyl)-3-ethoxy-3-oxopropyl]amino}-5-oxopentanoate

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

8017-0971

Molecular Formula

C26H38ClNO5 (C26 H38 ClNO5)

Compound Name

4-(tert-butyl)cyclohexyl 5-{[1-(2-chlorophenyl)-3-ethoxy-3-oxopropyl]amino}-5-oxopentanoate

IUPAC name

4-tert-butylcyclohexyl 4-{[1-(2-chlorophenyl)-3-ethoxy-3-oxopropyl]carbamoyl}butanoate

SMILES

CCOC(CC(c(cccc1)c1Cl)NC(CCCC(OC(CC1)CCC1C(C)(C)C)=O)=O)=O

InChI

InChI=1S/C26H38ClNO5/c1-5-32-25(31)17-22(20-9-6-7-10-21(20)27)28-23(29)11-8-12-24(30)33-19-15-13-18(14-16-19)26(2,3)4/h6-7,9-10,18-19,22H,5,8,11-17H2,1-4H3,(H,28,29)/t18?,19?,22-/m0/s1

InChI Key

JFNZJVXURHDHSL-AJTFCVKESA-N

MDL Number (MFCD)

MFCD06014031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.04

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.804

Distribution Coefficient, logD

5.804

Water Solubility, LogSw

-5.77

Polar Surface Area

63.988

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.39

8017-0971 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8017-0971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0971?
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What is the minimum amount of 8017-0971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0971
  • 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 8017-0971 available by request