P611-0580 Screening compound: 1-{4-methyl-2-[1-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-5-carbonyl}azepane

P611-0580 Screening compound: 1-{4-methyl-2-[1-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-5-carbonyl}azepane
P611-0580 Screening compound: 1-{4-methyl-2-[1-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-5-carbonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound P611-0580
1-{4-methyl-2-[1-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-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

P611-0580

Molecular Formula

C21H26N4OS (C21 H26 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)n1c(nccc2)c2c(-c2nc(C)c(C(N3CCCCCC3)=O)s2)c1

InChI

InChI=1S/C21H26N4OS/c1-14(2)25-13-17(16-9-8-10-22-19(16)25)20-23-15(3)18(27-20)21(26)24-11-6-4-5-7-12-24/h8-10,13-14H,4-7,11-12H2,1-3H3

InChI Key

GGGVHHTVEVEMAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.53

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

4.301

Distribution Coefficient, logD

4.298

Water Solubility, LogSw

-4.07

Polar Surface Area

40.230

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

5.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

P611-0580 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 P611-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P611-0580?
Check Price and Availability of P611-0580, 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 P611-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P611-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P611-0580
  • 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 P611-0580 available by request