M511-0890 Screening compound: 2-chloro-5-fluoro-N-{2-[1-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl}benzamide

M511-0890 Screening compound: 2-chloro-5-fluoro-N-{2-[1-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl}benzamide
M511-0890 Screening compound: 2-chloro-5-fluoro-N-{2-[1-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M511-0890
2-chloro-5-fluoro-N-{2-[1-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl}benzamide

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

M511-0890

Molecular Formula

C20H21ClFN3O (C20 H21 ClFN3 O)

Compound Name

2-chloro-5-fluoro-N-{2-[1-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl}benzamide

IUPAC name

2-chloro-5-fluoro-N-{2-[1-(2-methylpropyl)-1H-pyrrolo[23-b]pyridin-3-yl]ethyl}benzamide

SMILES

CC(C)Cn1c(nccc2)c2c(CCNC(c(cc(cc2)F)c2Cl)=O)c1

InChI

InChI=1S/C20H21ClFN3O/c1-13(2)11-25-12-14(16-4-3-8-23-19(16)25)7-9-24-20(26)17-10-15(22)5-6-18(17)21/h3-6,8,10,12-13H,7,9,11H2,1-2H3,(H,24,26)

InChI Key

JNYOFTQYBQDWAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27545775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.352

Distribution Coefficient, logD

4.348

Water Solubility, LogSw

-4.52

Polar Surface Area

36.404

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

M511-0890 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

CNS BBB Library (22607 compounds)

Hsp90-Targeted Library (11355 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M511-0890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M511-0890?
Check Price and Availability of M511-0890, 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 M511-0890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M511-0890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M511-0890
  • 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 M511-0890 available by request