8017-1015 Screening compound: 4-tert-butylcyclohexyl 4-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]carbamoyl}butanoate

8017-1015 Screening compound: 4-tert-butylcyclohexyl 4-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]carbamoyl}butanoate
8017-1015 Screening compound: 4-tert-butylcyclohexyl 4-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]carbamoyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1015
4-tert-butylcyclohexyl 4-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]carbamoyl}butanoate

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

8017-1015

Molecular Formula

C26H37FN2O3 (C26 H37 FN2 O3)

Compound Name

4-tert-butylcyclohexyl 4-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]carbamoyl}butanoate

IUPAC name

4-tert-butylcyclohexyl 4-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]carbamoyl}butanoate

SMILES

CC(C)(C)C(CC1)CCC1OC(CCCC(NCCc1c(C)[nH]c(cc2)c1cc2F)=O)=O

InChI

InChI=1S/C26H37FN2O3/c1-17-21(22-16-19(27)10-13-23(22)29-17)14-15-28-24(30)6-5-7-25(31)32-20-11-8-18(9-12-20)26(2,3)4/h10,13,16,18,20,29H,5-9,11-12,14-15H2,1-4H3,(H,28,30)

InChI Key

GXAINGZCCLEUJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014074

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

444.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.170

Distribution Coefficient, logD

5.170

Water Solubility, LogSw

-5.06

Polar Surface Area

53.966

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

8017-1015 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
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 8017-1015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1015?
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What is the minimum amount of 8017-1015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1015
  • 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 8017-1015 available by request