8008-7191 Screening compound: benzyl N-(1-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-2-phenylethyl)carbamate

8008-7191 Screening compound: benzyl N-(1-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-2-phenylethyl)carbamate
8008-7191 Screening compound: benzyl N-(1-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-2-phenylethyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-7191
benzyl N-(1-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-2-phenylethyl)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

8008-7191

Molecular Formula

C27H27N3O3 (C27 H27 N3 O3)

Compound Name

benzyl N-(1-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-2-phenylethyl)carbamate

IUPAC name

benzyl N-(1-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-2-phenylethyl)carbamate

SMILES

O=C(C(Cc1ccccc1)NC(OCc1ccccc1)=O)NCCc1c[nH]c2c1cccc2

InChI

InChI=1S/C27H27N3O3/c31-26(28-16-15-22-18-29-24-14-8-7-13-23(22)24)25(17-20-9-3-1-4-10-20)30-27(32)33-19-21-11-5-2-6-12-21/h1-14,18,25,29H,15-17,19H2,(H,28,31)(H,30,32)/t25-/m0/s1

InChI Key

DHTUZTGXFGOMQL-VWLOTQADSA-N

MDL Number (MFCD)

MFCD01045533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.850

Distribution Coefficient, logD

4.850

Water Solubility, LogSw

-5.17

Polar Surface Area

66.864

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

8008-7191 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 8008-7191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-7191?
Check Price and Availability of 8008-7191, 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 8008-7191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-7191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-7191
  • 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 8008-7191 available by request