G889-1653 Screening compound: 2-{4-[(butylcarbamoyl)methyl]piperazin-1-yl}-5-(4-fluorobenzamido)benzoic acid

G889-1653 Screening compound: 2-{4-[(butylcarbamoyl)methyl]piperazin-1-yl}-5-(4-fluorobenzamido)benzoic acid
G889-1653 Screening compound: 2-{4-[(butylcarbamoyl)methyl]piperazin-1-yl}-5-(4-fluorobenzamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G889-1653
2-{4-[(butylcarbamoyl)methyl]piperazin-1-yl}-5-(4-fluorobenzamido)benzoic 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

G889-1653

Molecular Formula

C24H29FN4O4 (C24 H29 FN4 O4)

Compound Name

2-{4-[(butylcarbamoyl)methyl]piperazin-1-yl}-5-(4-fluorobenzamido)benzoic acid

IUPAC name

2-{4-[(butylcarbamoyl)methyl]piperazin-1-yl}-5-(4-fluorobenzamido)benzoic acid

SMILES

CCCCNC(CN(CC1)CCN1c(ccc(NC(c(cc1)ccc1F)=O)c1)c1C(O)=O)=O

InChI

InChI=1S/C24H29FN4O4/c1-2-3-10-26-22(30)16-28-11-13-29(14-12-28)21-9-8-19(15-20(21)24(32)33)27-23(31)17-4-6-18(25)7-5-17/h4-9,15H,2-3,10-14,16H2,1H3,(H,26,30)(H,27,31)(H,32,33)

InChI Key

UPTBUUHSGKAFIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15073270

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

456.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.492

Distribution Coefficient, logD

1.242

Water Solubility, LogSw

-3.67

Polar Surface Area

83.014

Acid Dissociation Constant (pKa)

5.15

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

G889-1653 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with G889-1653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G889-1653?
Check Price and Availability of G889-1653, 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 G889-1653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G889-1653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G889-1653
  • 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 G889-1653 available by request