8007-2873 Screening compound: methyl 2-[3-(1H-indol-3-yl)-2-[(phenoxycarbonyl)amino]propanamido]acetate

8007-2873 Screening compound: methyl 2-[3-(1H-indol-3-yl)-2-[(phenoxycarbonyl)amino]propanamido]acetate
8007-2873 Screening compound: methyl 2-[3-(1H-indol-3-yl)-2-[(phenoxycarbonyl)amino]propanamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-2873
methyl 2-[3-(1H-indol-3-yl)-2-[(phenoxycarbonyl)amino]propanamido]acetate

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

8007-2873

Molecular Formula

C21H21N3O5 (C21 H21 N3 O5)

Compound Name

methyl 2-[3-(1H-indol-3-yl)-2-[(phenoxycarbonyl)amino]propanamido]acetate

IUPAC name

methyl 2-[3-(1H-indol-3-yl)-2-[(phenoxycarbonyl)amino]propanamido]acetate

SMILES

COC(CNC(C(Cc1c[nH]c2c1cccc2)NC(Oc1ccccc1)=O)=O)=O

InChI

InChI=1S/C21H21N3O5/c1-28-19(25)13-23-20(26)18(24-21(27)29-15-7-3-2-4-8-15)11-14-12-22-17-10-6-5-9-16(14)17/h2-10,12,18,22H,11,13H2,1H3,(H,23,26)(H,24,27)/t18-/m0/s1

InChI Key

SDVKPLIBUADGSD-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01113741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.670

Distribution Coefficient, logD

2.670

Water Solubility, LogSw

-2.96

Polar Surface Area

87.393

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

8007-2873 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8007-2873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-2873?
Check Price and Availability of 8007-2873, 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 8007-2873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-2873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-2873
  • 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 8007-2873 available by request