D629-0052 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide

D629-0052 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
D629-0052 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D629-0052
N-[2-(1H-indol-3-yl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide

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

D629-0052

Molecular Formula

C22H21N3O2S (C22 H21 N3 O2 S)

Compound Name

N-[2-(1H-indol-3-yl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide

IUPAC name

N-[2-(1H-indol-3-yl)ethyl]-2-[2-(phenoxymethyl)-13-thiazol-4-yl]acetamide

SMILES

O=C(Cc1csc(COc2ccccc2)n1)NCCc1c[nH]c2c1cccc2

InChI

InChI=1S/C22H21N3O2S/c26-21(23-11-10-16-13-24-20-9-5-4-8-19(16)20)12-17-15-28-22(25-17)14-27-18-6-2-1-3-7-18/h1-9,13,15,24H,10-12,14H2,(H,23,26)

InChI Key

NUHUAVGAISZUGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15142340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.713

Distribution Coefficient, logD

3.713

Water Solubility, LogSw

-4.19

Polar Surface Area

52.374

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D629-0052 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D629-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D629-0052?
Check Price and Availability of D629-0052, 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 D629-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D629-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D629-0052
  • 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 D629-0052 available by request