M513-1861 Screening compound: 4-({4-[2-(1-METHYL-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)ETHYL]PIPERAZINO}SULFONYL)BENZONITRILE

M513-1861 Screening compound: 4-({4-[2-(1-METHYL-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)ETHYL]PIPERAZINO}SULFONYL)BENZONITRILE
M513-1861 Screening compound: 4-({4-[2-(1-METHYL-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)ETHYL]PIPERAZINO}SULFONYL)BENZONITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound M513-1861
4-({4-[2-(1-METHYL-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)ETHYL]PIPERAZINO}SULFONYL)BENZONITRILE

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

M513-1861

Molecular Formula

C21H23N5O2S (C21 H23 N5 O2 S)

Compound Name

4-({4-[2-(1-METHYL-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)ETHYL]PIPERAZINO}SULFONYL)BENZONITRILE

IUPAC name

n/a

SMILES

Cn1c(nccc2)c2c(CCN(CC2)CCN2S(c(cc2)ccc2C#N)(=O)=O)c1

InChI

InChI=1S/C21H23N5O2S/c1-24-16-18(20-3-2-9-23-21(20)24)8-10-25-11-13-26(14-12-25)29(27,28)19-6-4-17(15-22)5-7-19/h2-7,9,16H,8,10-14H2,1H3

InChI Key

GRLPCCLLTUASMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27546109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.727

Distribution Coefficient, logD

1.684

Water Solubility, LogSw

-2.27

Polar Surface Area

64.991

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M513-1861 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 M513-1861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M513-1861?
Check Price and Availability of M513-1861, 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 M513-1861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M513-1861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M513-1861
  • 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 M513-1861 available by request