8017-0977 Screening compound: 4-(tert-butyl)cyclohexyl 5-{[3-ethoxy-1-(4-methoxyphenyl)-3-oxopropyl]amino}-5-oxopentanoate

8017-0977 Screening compound: 4-(tert-butyl)cyclohexyl 5-{[3-ethoxy-1-(4-methoxyphenyl)-3-oxopropyl]amino}-5-oxopentanoate
8017-0977 Screening compound: 4-(tert-butyl)cyclohexyl 5-{[3-ethoxy-1-(4-methoxyphenyl)-3-oxopropyl]amino}-5-oxopentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0977
4-(tert-butyl)cyclohexyl 5-{[3-ethoxy-1-(4-methoxyphenyl)-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

8017-0977

Molecular Formula

C27H41NO6 (C27 H41 NO6)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CC(c(cc1)ccc1OC)NC(CCCC(OC(CC1)CCC1C(C)(C)C)=O)=O)=O

InChI

InChI=1S/C27H41NO6/c1-6-33-26(31)18-23(19-10-14-21(32-5)15-11-19)28-24(29)8-7-9-25(30)34-22-16-12-20(13-17-22)27(2,3)4/h10-11,14-15,20,22-23H,6-9,12-13,16-18H2,1-5H3,(H,28,29)/t20?,22?,23-/m0/s1

InChI Key

AGVDOMSLIDERLB-SDVLMSEASA-N

MDL Number (MFCD)

MFCD06014037

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

475.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.290

Distribution Coefficient, logD

5.290

Water Solubility, LogSw

-5.18

Polar Surface Area

71.532

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

8017-0977 in Drug Discovery

Included in Screening Libraries

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 8017-0977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0977?
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What is the minimum amount of 8017-0977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0977
  • 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 8017-0977 available by request