M577-0323 Screening compound: 2-[1-(4-fluorophenyl)-1H-pyrrol-2-yl]-1-(4-methyl-1,4-diazepan-1-yl)-1-ethanone

M577-0323 Screening compound: 2-[1-(4-fluorophenyl)-1H-pyrrol-2-yl]-1-(4-methyl-1,4-diazepan-1-yl)-1-ethanone
M577-0323 Screening compound: 2-[1-(4-fluorophenyl)-1H-pyrrol-2-yl]-1-(4-methyl-1,4-diazepan-1-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M577-0323
2-[1-(4-fluorophenyl)-1H-pyrrol-2-yl]-1-(4-methyl-1,4-diazepan-1-yl)-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

M577-0323

Molecular Formula

C18H22FN3O (C18 H22 FN3 O)

Compound Name

2-[1-(4-fluorophenyl)-1H-pyrrol-2-yl]-1-(4-methyl-1,4-diazepan-1-yl)-1-ethanone

IUPAC name

2-[1-(4-fluorophenyl)-1H-pyrrol-2-yl]-1-(4-methyl-14-diazepan-1-yl)ethan-1-one

SMILES

CN(CCC1)CCN1C(Cc1cccn1-c(cc1)ccc1F)=O

InChI

InChI=1S/C18H22FN3O/c1-20-9-3-10-21(13-12-20)18(23)14-17-4-2-11-22(17)16-7-5-15(19)6-8-16/h2,4-8,11H,3,9-10,12-14H2,1H3

InChI Key

MEZYMDDRJPJPHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29019082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.235

Distribution Coefficient, logD

0.796

Water Solubility, LogSw

-2.40

Polar Surface Area

22.696

Acid Dissociation Constant (pKa)

21.27

Base Dissociation Constant (pKb)

8.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

M577-0323 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with M577-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M577-0323?
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What is the minimum amount of M577-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M577-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M577-0323
  • 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 M577-0323 available by request