M577-0014 Screening compound: 2-[1-(4-CHLOROPHENYL)-1H-PYRROL-2-YL]-1-(4-METHYL-1,4-DIAZEPAN-1-YL)-1-ETHANONE

M577-0014 Screening compound: 2-[1-(4-CHLOROPHENYL)-1H-PYRROL-2-YL]-1-(4-METHYL-1,4-DIAZEPAN-1-YL)-1-ETHANONE
M577-0014 Screening compound: 2-[1-(4-CHLOROPHENYL)-1H-PYRROL-2-YL]-1-(4-METHYL-1,4-DIAZEPAN-1-YL)-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound M577-0014
2-[1-(4-CHLOROPHENYL)-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

M577-0014

Molecular Formula

C18H22ClN3O (C18 H22 ClN3 O)

Compound Name

2-[1-(4-CHLOROPHENYL)-1H-PYRROL-2-YL]-1-(4-METHYL-1,4-DIAZEPAN-1-YL)-1-ETHANONE

IUPAC name

n/a

SMILES

CN(CCC1)CCN1C(Cc1cccn1-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C18H22ClN3O/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

OAFGLAPFUSKCEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29019697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.85

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

2.801

Distribution Coefficient, logD

1.362

Water Solubility, LogSw

-3.29

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

38.90

M577-0014 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M577-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M577-0014?
Check Price and Availability of M577-0014, 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 M577-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M577-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M577-0014
  • 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 M577-0014 available by request