8016-8918 Screening compound: 4-methylcyclohexyl 4-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]amino}-4-oxobutanoate

8016-8918 Screening compound: 4-methylcyclohexyl 4-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]amino}-4-oxobutanoate
8016-8918 Screening compound: 4-methylcyclohexyl 4-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]amino}-4-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8918
4-methylcyclohexyl 4-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]amino}-4-oxobutanoate

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

8016-8918

Molecular Formula

C22H29FN2O3 (C22 H29 FN2 O3)

Compound Name

4-methylcyclohexyl 4-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]amino}-4-oxobutanoate

IUPAC name

4-methylcyclohexyl 3-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]carbamoyl}propanoate

SMILES

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

InChI

InChI=1S/C22H29FN2O3/c1-14-3-6-17(7-4-14)28-22(27)10-9-21(26)24-12-11-18-15(2)25-20-8-5-16(23)13-19(18)20/h5,8,13-14,17,25H,3-4,6-7,9-12H2,1-2H3,(H,24,26)

InChI Key

PWUWHWWBRJVBAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.046

Distribution Coefficient, logD

4.046

Water Solubility, LogSw

-4.08

Polar Surface Area

53.966

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.54

8016-8918 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 8016-8918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8918?
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What is the minimum amount of 8016-8918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8918
  • 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 8016-8918 available by request