P611-0460 Screening compound: 1-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-4-methyl-1,3-thiazole-5-carbonyl)azepane

P611-0460 Screening compound: 1-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-4-methyl-1,3-thiazole-5-carbonyl)azepane
P611-0460 Screening compound: 1-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-4-methyl-1,3-thiazole-5-carbonyl)azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound P611-0460
1-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-4-methyl-1,3-thiazole-5-carbonyl)azepane

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

P611-0460

Molecular Formula

C20H24N4OS (C20 H24 N4 OS)

Compound Name

1-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-4-methyl-1,3-thiazole-5-carbonyl)azepane

IUPAC name

1-(2-{1-ethyl-1H-pyrrolo[23-b]pyridin-3-yl}-4-methyl-13-thiazole-5-carbonyl)azepane

SMILES

CCn1c(nccc2)c2c(-c2nc(C)c(C(N3CCCCCC3)=O)s2)c1

InChI

InChI=1S/C20H24N4OS/c1-3-23-13-16(15-9-8-10-21-18(15)23)19-22-14(2)17(26-19)20(25)24-11-6-4-5-7-12-24/h8-10,13H,3-7,11-12H2,1-2H3

InChI Key

XYYYLVUGGHLMPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.706

Distribution Coefficient, logD

3.703

Water Solubility, LogSw

-3.71

Polar Surface Area

39.164

Acid Dissociation Constant (pKa)

24.21

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

P611-0460 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Hsp90-Targeted Library (11355 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P611-0460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P611-0460?
Check Price and Availability of P611-0460, 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 P611-0460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P611-0460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P611-0460
  • 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 P611-0460 available by request