M513-1846 Screening compound: 1-[(3,5-DIFLUOROPHENYL)METHANESULFONYL]-4-(2-{1-METHYL-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}ETHYL)PIPERAZINE

M513-1846 Screening compound: 1-[(3,5-DIFLUOROPHENYL)METHANESULFONYL]-4-(2-{1-METHYL-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}ETHYL)PIPERAZINE
M513-1846 Screening compound: 1-[(3,5-DIFLUOROPHENYL)METHANESULFONYL]-4-(2-{1-METHYL-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}ETHYL)PIPERAZINE alternative view

Chemical Structure Depiction of ChemDiv screening compound M513-1846
1-[(3,5-DIFLUOROPHENYL)METHANESULFONYL]-4-(2-{1-METHYL-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}ETHYL)PIPERAZINE

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

M513-1846

Molecular Formula

C21H24F2N4O2S (C21 H24 F2 N4 O2 S)

Compound Name

1-[(3,5-DIFLUOROPHENYL)METHANESULFONYL]-4-(2-{1-METHYL-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}ETHYL)PIPERAZINE

IUPAC name

n/a

SMILES

Cn1c(nccc2)c2c(CCN(CC2)CCN2S(Cc2cc(F)cc(F)c2)(=O)=O)c1

InChI

InChI=1S/C21H24F2N4O2S/c1-25-14-17(20-3-2-5-24-21(20)25)4-6-26-7-9-27(10-8-26)30(28,29)15-16-11-18(22)13-19(23)12-16/h2-3,5,11-14H,4,6-10,15H2,1H3

InChI Key

KFWSJSNEHYIEBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27546101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.357

Distribution Coefficient, logD

2.323

Water Solubility, LogSw

-2.65

Polar Surface Area

47.829

Acid Dissociation Constant (pKa)

19.82

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

M513-1846 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Hsp90-Targeted Library (11355 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M513-1846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M513-1846?
Check Price and Availability of M513-1846, 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 M513-1846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M513-1846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M513-1846
  • 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 M513-1846 available by request