G889-1551 Screening compound: 2-[4-(6-chloropyridazin-3-yl)-1,4-diazepan-1-yl]-5-(2-fluorobenzamido)benzoic acid

G889-1551 Screening compound: 2-[4-(6-chloropyridazin-3-yl)-1,4-diazepan-1-yl]-5-(2-fluorobenzamido)benzoic acid
G889-1551 Screening compound: 2-[4-(6-chloropyridazin-3-yl)-1,4-diazepan-1-yl]-5-(2-fluorobenzamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G889-1551
2-[4-(6-chloropyridazin-3-yl)-1,4-diazepan-1-yl]-5-(2-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

G889-1551

Molecular Formula

C23H21ClFN5O3 (C23 H21 ClFN5 O3)

Compound Name

2-[4-(6-chloropyridazin-3-yl)-1,4-diazepan-1-yl]-5-(2-fluorobenzamido)benzoic acid

IUPAC name

2-[4-(6-chloropyridazin-3-yl)-14-diazepan-1-yl]-5-(2-fluorobenzamido)benzoic acid

SMILES

OC(c(cc(cc1)NC(c(cccc2)c2F)=O)c1N(CCC1)CCN1c(cc1)nnc1Cl)=O

InChI

InChI=1S/C23H21ClFN5O3/c24-20-8-9-21(28-27-20)30-11-3-10-29(12-13-30)19-7-6-15(14-17(19)23(32)33)26-22(31)16-4-1-2-5-18(16)25/h1-2,4-9,14H,3,10-13H2,(H,26,31)(H,32,33)

InChI Key

XHKOVJLRJACXBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27166490

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

469.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.778

Distribution Coefficient, logD

1.527

Water Solubility, LogSw

-4.10

Polar Surface Area

79.554

Acid Dissociation Constant (pKa)

5.15

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

G889-1551 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Endocrine
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G889-1551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G889-1551?
Check Price and Availability of G889-1551, 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 G889-1551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G889-1551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G889-1551
  • 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 G889-1551 available by request