M687-3820 Screening compound: 5-{3-[4-(4-methoxyphenyl)piperazino]-3-oxopropyl}-N~3~,N~3~,1,2,4-pentamethyl-1H-pyrrole-3-carboxamide

M687-3820 Screening compound: 5-{3-[4-(4-methoxyphenyl)piperazino]-3-oxopropyl}-N~3~,N~3~,1,2,4-pentamethyl-1H-pyrrole-3-carboxamide
M687-3820 Screening compound: 5-{3-[4-(4-methoxyphenyl)piperazino]-3-oxopropyl}-N~3~,N~3~,1,2,4-pentamethyl-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M687-3820
5-{3-[4-(4-methoxyphenyl)piperazino]-3-oxopropyl}-N~3~,N~3~,1,2,4-pentamethyl-1H-pyrrole-3-carboxamide

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

M687-3820

Molecular Formula

C24H34N4O3 (C24 H34 N4 O3)

Compound Name

5-{3-[4-(4-methoxyphenyl)piperazino]-3-oxopropyl}-N~3~,N~3~,1,2,4-pentamethyl-1H-pyrrole-3-carboxamide

IUPAC name

5-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-NN124-pentamethyl-1H-pyrrole-3-carboxamide

SMILES

Cc1c(CCC(N(CC2)CCN2c(cc2)ccc2OC)=O)n(C)c(C)c1C(N(C)C)=O

InChI

InChI=1S/C24H34N4O3/c1-17-21(26(5)18(2)23(17)24(30)25(3)4)11-12-22(29)28-15-13-27(14-16-28)19-7-9-20(31-6)10-8-19/h7-10H,11-16H2,1-6H3

InChI Key

SXUUZFSOUZFINN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27551477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.519

Distribution Coefficient, logD

1.519

Water Solubility, LogSw

-1.88

Polar Surface Area

45.453

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

M687-3820 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 M687-3820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M687-3820?
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What is the minimum amount of M687-3820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M687-3820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M687-3820
  • 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 M687-3820 available by request