H025-0218 Screening compound: 3-[8-fluoro-2-(4-fluorobenzenesulfonyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5-yl]propanoic acid

H025-0218 Screening compound: 3-[8-fluoro-2-(4-fluorobenzenesulfonyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5-yl]propanoic acid
H025-0218 Screening compound: 3-[8-fluoro-2-(4-fluorobenzenesulfonyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0218
3-[8-fluoro-2-(4-fluorobenzenesulfonyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5-yl]propanoic 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

H025-0218

Molecular Formula

C20H18F2N2O4S (C20 H18 F2 N2 O4 S)

Compound Name

3-[8-fluoro-2-(4-fluorobenzenesulfonyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5-yl]propanoic acid

IUPAC name

3-[8-fluoro-2-(4-fluorobenzenesulfonyl)-1H2H3H4H5H-pyrido[43-b]indol-5-yl]propanoic acid

SMILES

OC(CCn1c(ccc(F)c2)c2c(C2)c1CCN2S(c(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C20H18F2N2O4S/c21-13-1-4-15(5-2-13)29(27,28)23-9-7-19-17(12-23)16-11-14(22)3-6-18(16)24(19)10-8-20(25)26/h1-6,11H,7-10,12H2,(H,25,26)

InChI Key

NJHIMQGHHQIXTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.701

Distribution Coefficient, logD

-0.093

Water Solubility, LogSw

-2.96

Polar Surface Area

61.430

Acid Dissociation Constant (pKa)

4.61

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

H025-0218 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

Integrin Receptors Targeted library (1715 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Kinases
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with H025-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0218?
Check Price and Availability of H025-0218, 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 H025-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0218
  • 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 H025-0218 available by request