G889-2055 Screening compound: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-propanamidobenzoic acid

G889-2055 Screening compound: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-propanamidobenzoic acid
G889-2055 Screening compound: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-propanamidobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G889-2055
2-[4-(2-cyanoethyl)piperazin-1-yl]-5-propanamidobenzoic acid

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

G889-2055

Molecular Formula

C17H22N4O3 (C17 H22 N4 O3)

Compound Name

2-[4-(2-cyanoethyl)piperazin-1-yl]-5-propanamidobenzoic acid

IUPAC name

2-[4-(2-cyanoethyl)piperazin-1-yl]-5-propanamidobenzoic acid

SMILES

CCC(Nc(cc1)cc(C(O)=O)c1N1CCN(CCC#N)CC1)=O

InChI

InChI=1S/C17H22N4O3/c1-2-16(22)19-13-4-5-15(14(12-13)17(23)24)21-10-8-20(9-11-21)7-3-6-18/h4-5,12H,2-3,7-11H2,1H3,(H,19,22)(H,23,24)

InChI Key

INUQPYAOKUMQCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15073307

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

330.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.207

Distribution Coefficient, logD

-1.044

Water Solubility, LogSw

-2.36

Polar Surface Area

76.230

Acid Dissociation Constant (pKa)

5.15

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

G889-2055 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 G889-2055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G889-2055?
Check Price and Availability of G889-2055, 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 G889-2055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G889-2055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G889-2055
  • 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 G889-2055 available by request