G625-0012 Screening compound: methyl 4-{2,5-dimethyl-3-[2-(4-methylpiperidin-1-yl)acetyl]-1H-pyrrol-1-yl}benzoate

G625-0012 Screening compound: methyl 4-{2,5-dimethyl-3-[2-(4-methylpiperidin-1-yl)acetyl]-1H-pyrrol-1-yl}benzoate
G625-0012 Screening compound: methyl 4-{2,5-dimethyl-3-[2-(4-methylpiperidin-1-yl)acetyl]-1H-pyrrol-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G625-0012
methyl 4-{2,5-dimethyl-3-[2-(4-methylpiperidin-1-yl)acetyl]-1H-pyrrol-1-yl}benzoate

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

G625-0012

Molecular Formula

C22H28N2O3 (C22 H28 N2 O3)

Compound Name

methyl 4-{2,5-dimethyl-3-[2-(4-methylpiperidin-1-yl)acetyl]-1H-pyrrol-1-yl}benzoate

IUPAC name

methyl 4-{25-dimethyl-3-[2-(4-methylpiperidin-1-yl)acetyl]-1H-pyrrol-1-yl}benzoate

SMILES

CC1CCN(CC(c(cc2C)c(C)n2-c(cc2)ccc2C(OC)=O)=O)CC1

InChI

InChI=1S/C22H28N2O3/c1-15-9-11-23(12-10-15)14-21(25)20-13-16(2)24(17(20)3)19-7-5-18(6-8-19)22(26)27-4/h5-8,13,15H,9-12,14H2,1-4H3

InChI Key

CLMJNQLZLXMONX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02654504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.617

Distribution Coefficient, logD

2.397

Water Solubility, LogSw

-3.70

Polar Surface Area

41.057

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

8.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

G625-0012 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with G625-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G625-0012?
Check Price and Availability of G625-0012, 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 G625-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G625-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G625-0012
  • 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 G625-0012 available by request