8017-0354 Screening compound: 2-[4-(2-amino-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-4-yl)phenoxy]acetic acid

8017-0354 Screening compound: 2-[4-(2-amino-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-4-yl)phenoxy]acetic acid
8017-0354 Screening compound: 2-[4-(2-amino-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-4-yl)phenoxy]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0354
2-[4-(2-amino-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-4-yl)phenoxy]acetic 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

8017-0354

Molecular Formula

C17H15N5O3 (C17 H15 N5 O3)

Compound Name

2-[4-(2-amino-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-4-yl)phenoxy]acetic acid

IUPAC name

2-(4-{11-amino-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-246811-pentaen-13-yl}phenoxy)acetic acid

SMILES

NC(N1)=NC(c(cc2)ccc2OCC(O)=O)n2c1nc1c2cccc1

InChI

InChI=1S/C17H15N5O3/c18-16-20-15(10-5-7-11(8-6-10)25-9-14(23)24)22-13-4-2-1-3-12(13)19-17(22)21-16/h1-8,15H,9H2,(H,23,24)(H3,18,19,20,21)/t15-/m1/s1

InChI Key

LGTIGIQJEPXFAO-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD06013580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.038

Distribution Coefficient, logD

2.038

Water Solubility, LogSw

-2.64

Polar Surface Area

92.182

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.76

8017-0354 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8017-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0354?
Check Price and Availability of 8017-0354, 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 8017-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0354
  • 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 8017-0354 available by request