G889-1554 Screening compound: 2-[4-(6-CHLOROPYRIDAZIN-3-YL)-1,4-DIAZEPAN-1-YL]-5-(THIOPHENE-2-AMIDO)BENZOIC ACID

G889-1554 Screening compound: 2-[4-(6-CHLOROPYRIDAZIN-3-YL)-1,4-DIAZEPAN-1-YL]-5-(THIOPHENE-2-AMIDO)BENZOIC ACID
G889-1554 Screening compound: 2-[4-(6-CHLOROPYRIDAZIN-3-YL)-1,4-DIAZEPAN-1-YL]-5-(THIOPHENE-2-AMIDO)BENZOIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound G889-1554
2-[4-(6-CHLOROPYRIDAZIN-3-YL)-1,4-DIAZEPAN-1-YL]-5-(THIOPHENE-2-AMIDO)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

G889-1554

Molecular Formula

C21H20ClN5O3S (C21 H20 ClN5 O3 S)

Compound Name

2-[4-(6-CHLOROPYRIDAZIN-3-YL)-1,4-DIAZEPAN-1-YL]-5-(THIOPHENE-2-AMIDO)BENZOIC ACID

IUPAC name

n/a

SMILES

OC(c(cc(cc1)NC(c2cccs2)=O)c1N(CCC1)CCN1c(cc1)nnc1Cl)=O

InChI

InChI=1S/C21H20ClN5O3S/c22-18-6-7-19(25-24-18)27-9-2-8-26(10-11-27)16-5-4-14(13-15(16)21(29)30)23-20(28)17-3-1-12-31-17/h1,3-7,12-13H,2,8-11H2,(H,23,28)(H,29,30)

InChI Key

QDUGXVCBLOSGIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27166492

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

457.94

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

3.707

Distribution Coefficient, logD

1.457

Water Solubility, LogSw

-4.14

Polar Surface Area

80.572

Acid Dissociation Constant (pKa)

5.15

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G889-1554 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G889-1554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G889-1554?
Check Price and Availability of G889-1554, 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 G889-1554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G889-1554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G889-1554
  • 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 G889-1554 available by request