M511-0700 Screening compound: N-(2-{1-propyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)-2-(trifluoromethyl)benzamide

M511-0700 Screening compound: N-(2-{1-propyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)-2-(trifluoromethyl)benzamide
M511-0700 Screening compound: N-(2-{1-propyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)-2-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M511-0700
N-(2-{1-propyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)-2-(trifluoromethyl)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

M511-0700

Molecular Formula

C20H20F3N3O (C20 H20 F3 N3 O)

Compound Name

N-(2-{1-propyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)-2-(trifluoromethyl)benzamide

IUPAC name

N-(2-{1-propyl-1H-pyrrolo[23-b]pyridin-3-yl}ethyl)-2-(trifluoromethyl)benzamide

SMILES

CCCn1c(nccc2)c2c(CCNC(c2c(C(F)(F)F)cccc2)=O)c1

InChI

InChI=1S/C20H20F3N3O/c1-2-12-26-13-14(15-7-5-10-24-18(15)26)9-11-25-19(27)16-6-3-4-8-17(16)20(21,22)23/h3-8,10,13H,2,9,11-12H2,1H3,(H,25,27)

InChI Key

MIQDZQYITMPEHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27545711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.494

Distribution Coefficient, logD

3.488

Water Solubility, LogSw

-3.53

Polar Surface Area

36.382

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

M511-0700 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Hsp90-Targeted Library (11355 compounds)

PLpro Library (6343 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M511-0700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M511-0700?
Check Price and Availability of M511-0700, 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 M511-0700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M511-0700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M511-0700
  • 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 M511-0700 available by request