6386-0010 Screening compound: 2-{[9-(2-phenoxyethyl)-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-yl]sulfanyl}propanoic acid

6386-0010 Screening compound: 2-{[9-(2-phenoxyethyl)-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-yl]sulfanyl}propanoic acid
6386-0010 Screening compound: 2-{[9-(2-phenoxyethyl)-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-yl]sulfanyl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6386-0010
2-{[9-(2-phenoxyethyl)-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-yl]sulfanyl}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

6386-0010

Molecular Formula

C19H18N4O3S (C19 H18 N4 O3 S)

Compound Name

2-{[9-(2-phenoxyethyl)-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-yl]sulfanyl}propanoic acid

IUPAC name

2-{[7-(2-phenoxyethyl)-2457-tetraazatricyclo[6.4.0.0^{26}]dodeca-1(12)35810-pentaen-3-yl]sulfanyl}propanoic acid

SMILES

CC(C(O)=O)Sc1nnc2n1c(cccc1)c1n2CCOc1ccccc1

InChI

InChI=1S/C19H18N4O3S/c1-13(17(24)25)27-19-21-20-18-22(11-12-26-14-7-3-2-4-8-14)15-9-5-6-10-16(15)23(18)19/h2-10,13H,11-12H2,1H3,(H,24,25)/t13-/m0/s1

InChI Key

SFYQDCHXRHFNHE-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04217404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.148

Distribution Coefficient, logD

-0.058

Water Solubility, LogSw

-3.15

Polar Surface Area

60.731

Acid Dissociation Constant (pKa)

4.19

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

6386-0010 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 6386-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6386-0010?
Check Price and Availability of 6386-0010, 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 6386-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6386-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6386-0010
  • 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 6386-0010 available by request