P612-0450 Screening compound: 2-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazol-4-yl)-N-[(4-methylphenyl)methyl]acetamide

P612-0450 Screening compound: 2-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazol-4-yl)-N-[(4-methylphenyl)methyl]acetamide
P612-0450 Screening compound: 2-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazol-4-yl)-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P612-0450
2-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazol-4-yl)-N-[(4-methylphenyl)methyl]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

P612-0450

Molecular Formula

C22H22N4OS (C22 H22 N4 OS)

Compound Name

2-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazol-4-yl)-N-[(4-methylphenyl)methyl]acetamide

IUPAC name

2-(2-{1-ethyl-1H-pyrrolo[23-b]pyridin-3-yl}-13-thiazol-4-yl)-N-[(4-methylphenyl)methyl]acetamide

SMILES

CCn1c(nccc2)c2c(-c2nc(CC(NCc3ccc(C)cc3)=O)cs2)c1

InChI

InChI=1S/C22H22N4OS/c1-3-26-13-19(18-5-4-10-23-21(18)26)22-25-17(14-28-22)11-20(27)24-12-16-8-6-15(2)7-9-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,24,27)

InChI Key

YKXRSAUYYGLKJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.796

Distribution Coefficient, logD

3.792

Water Solubility, LogSw

-3.74

Polar Surface Area

46.303

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

P612-0450 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with P612-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P612-0450?
Check Price and Availability of P612-0450, 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 P612-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P612-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P612-0450
  • 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 P612-0450 available by request