8006-3994 Screening compound: tert-butyl N-[1-(benzylcarbamoyl)-2-(1H-indol-3-yl)ethyl]carbamate

8006-3994 Screening compound: tert-butyl N-[1-(benzylcarbamoyl)-2-(1H-indol-3-yl)ethyl]carbamate
8006-3994 Screening compound: tert-butyl N-[1-(benzylcarbamoyl)-2-(1H-indol-3-yl)ethyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-3994
tert-butyl N-[1-(benzylcarbamoyl)-2-(1H-indol-3-yl)ethyl]carbamate

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

8006-3994

Molecular Formula

C23H27N3O3 (C23 H27 N3 O3)

Compound Name

tert-butyl N-[1-(benzylcarbamoyl)-2-(1H-indol-3-yl)ethyl]carbamate

IUPAC name

tert-butyl N-[1-(benzylcarbamoyl)-2-(1H-indol-3-yl)ethyl]carbamate

SMILES

CC(C)(C)OC(NC(Cc1c[nH]c2c1cccc2)C(NCc1ccccc1)=O)=O

InChI

InChI=1S/C23H27N3O3/c1-23(2,3)29-22(28)26-20(21(27)25-14-16-9-5-4-6-10-16)13-17-15-24-19-12-8-7-11-18(17)19/h4-12,15,20,24H,13-14H2,1-3H3,(H,25,27)(H,26,28)/t20-/m0/s1

InChI Key

MEORLZZTUYTLFM-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00824870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.418

Distribution Coefficient, logD

4.418

Water Solubility, LogSw

-4.38

Polar Surface Area

66.028

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

8006-3994 in Drug Discovery

Included in Screening Libraries

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8006-3994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-3994?
Check Price and Availability of 8006-3994, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8006-3994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-3994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-3994
  • 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 8006-3994 available by request