M684-3500 Screening compound: N~1~-(2-chlorobenzyl)-3-{1,2,5-trimethyl-4-[(4-methylpiperazino)carbonyl]-1H-pyrrol-3-yl}propanamide

M684-3500 Screening compound: N~1~-(2-chlorobenzyl)-3-{1,2,5-trimethyl-4-[(4-methylpiperazino)carbonyl]-1H-pyrrol-3-yl}propanamide
M684-3500 Screening compound: N~1~-(2-chlorobenzyl)-3-{1,2,5-trimethyl-4-[(4-methylpiperazino)carbonyl]-1H-pyrrol-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M684-3500
N~1~-(2-chlorobenzyl)-3-{1,2,5-trimethyl-4-[(4-methylpiperazino)carbonyl]-1H-pyrrol-3-yl}propanamide

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

M684-3500

Molecular Formula

C23H31ClN4O2 (C23 H31 ClN4 O2)

Compound Name

N~1~-(2-chlorobenzyl)-3-{1,2,5-trimethyl-4-[(4-methylpiperazino)carbonyl]-1H-pyrrol-3-yl}propanamide

IUPAC name

N-[(2-chlorophenyl)methyl]-3-[125-trimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]propanamide

SMILES

Cc1c(CCC(NCc(cccc2)c2Cl)=O)c(C(N2CCN(C)CC2)=O)c(C)n1C

InChI

InChI=1S/C23H31ClN4O2/c1-16-19(9-10-21(29)25-15-18-7-5-6-8-20(18)24)22(17(2)27(16)4)23(30)28-13-11-26(3)12-14-28/h5-8H,9-15H2,1-4H3,(H,25,29)

InChI Key

FATBTGHVDNFRKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27551432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.151

Distribution Coefficient, logD

2.020

Water Solubility, LogSw

-3.11

Polar Surface Area

47.342

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.83

M684-3500 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with M684-3500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M684-3500?
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What is the minimum amount of M684-3500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M684-3500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M684-3500
  • 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 M684-3500 available by request