M513-1248 Screening compound: 1-{4-[2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazino}-2-(3-fluorophenyl)-1-ethanone

M513-1248 Screening compound: 1-{4-[2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazino}-2-(3-fluorophenyl)-1-ethanone
M513-1248 Screening compound: 1-{4-[2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazino}-2-(3-fluorophenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M513-1248
1-{4-[2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazino}-2-(3-fluorophenyl)-1-ethanone

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

M513-1248

Molecular Formula

C23H27FN4O (C23 H27 FN4 O)

Compound Name

1-{4-[2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazino}-2-(3-fluorophenyl)-1-ethanone

IUPAC name

1-[4-(2-{1-ethyl-1H-pyrrolo[23-b]pyridin-3-yl}ethyl)piperazin-1-yl]-2-(3-fluorophenyl)ethan-1-one

SMILES

CCn1c(nccc2)c2c(CCN(CC2)CCN2C(Cc2cccc(F)c2)=O)c1

InChI

InChI=1S/C23H27FN4O/c1-2-27-17-19(21-7-4-9-25-23(21)27)8-10-26-11-13-28(14-12-26)22(29)16-18-5-3-6-20(24)15-18/h3-7,9,15,17H,2,8,10-14,16H2,1H3

InChI Key

BDIFLPUAVNBDIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27546041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.561

Distribution Coefficient, logD

2.398

Water Solubility, LogSw

-2.57

Polar Surface Area

31.513

Acid Dissociation Constant (pKa)

17.82

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

M513-1248 in Drug Discovery

Included in Screening Libraries

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

Hsp90-Targeted Library (11355 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 M513-1248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M513-1248?
Check Price and Availability of M513-1248, 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 M513-1248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M513-1248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M513-1248
  • 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 M513-1248 available by request