M577-0960 Screening compound: ethyl 1-{2-[1-(3-chlorophenyl)-1H-pyrrol-2-yl]acetyl}piperidine-4-carboxylate

M577-0960 Screening compound: ethyl 1-{2-[1-(3-chlorophenyl)-1H-pyrrol-2-yl]acetyl}piperidine-4-carboxylate
M577-0960 Screening compound: ethyl 1-{2-[1-(3-chlorophenyl)-1H-pyrrol-2-yl]acetyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound M577-0960
ethyl 1-{2-[1-(3-chlorophenyl)-1H-pyrrol-2-yl]acetyl}piperidine-4-carboxylate

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

M577-0960

Molecular Formula

C20H23ClN2O3 (C20 H23 ClN2 O3)

Compound Name

ethyl 1-{2-[1-(3-chlorophenyl)-1H-pyrrol-2-yl]acetyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{2-[1-(3-chlorophenyl)-1H-pyrrol-2-yl]acetyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(Cc1cccn1-c1cccc(Cl)c1)=O)=O

InChI

InChI=1S/C20H23ClN2O3/c1-2-26-20(25)15-8-11-22(12-9-15)19(24)14-18-7-4-10-23(18)17-6-3-5-16(21)13-17/h3-7,10,13,15H,2,8-9,11-12,14H2,1H3

InChI Key

BBXGRSSNJIXDJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29019148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.696

Distribution Coefficient, logD

3.696

Water Solubility, LogSw

-3.92

Polar Surface Area

39.642

Acid Dissociation Constant (pKa)

20.88

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

M577-0960 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M577-0960 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M577-0960?
Check Price and Availability of M577-0960, 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 M577-0960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M577-0960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M577-0960
  • 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 M577-0960 available by request