1814-2261 Screening compound: 6-(1H-1,3-benzimidazol-2-yl)-3-hexyl[1,3]benzimidazo[1,2-a]quinolin-2-ol

1814-2261 Screening compound: 6-(1H-1,3-benzimidazol-2-yl)-3-hexyl[1,3]benzimidazo[1,2-a]quinolin-2-ol
1814-2261 Screening compound: 6-(1H-1,3-benzimidazol-2-yl)-3-hexyl[1,3]benzimidazo[1,2-a]quinolin-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1814-2261
6-(1H-1,3-benzimidazol-2-yl)-3-hexyl[1,3]benzimidazo[1,2-a]quinolin-2-ol

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

1814-2261

Molecular Formula

C28H26N4O (C28 H26 N4 O)

Compound Name

6-(1H-1,3-benzimidazol-2-yl)-3-hexyl[1,3]benzimidazo[1,2-a]quinolin-2-ol

IUPAC name

9-(1H-13-benzodiazol-2-yl)-5-hexyl-111-diazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-246810121416-octaen-4-ol

SMILES

CCCCCCc(cc(cc(-c1nc(cccc2)c2[nH]1)c1nc(cccc2)c2n11)c1c1)c1O

InChI

InChI=1S/C28H26N4O/c1-2-3-4-5-10-18-15-19-16-20(27-29-21-11-6-7-12-22(21)30-27)28-31-23-13-8-9-14-24(23)32(28)25(19)17-26(18)33/h6-9,11-17,33H,2-5,10H2,1H3,(H,29,30)

InChI Key

AMEPDYLJUDOWOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.586

Distribution Coefficient, logD

7.458

Water Solubility, LogSw

-6.10

Polar Surface Area

43.122

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

1814-2261 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 1814-2261 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1814-2261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1814-2261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1814-2261
  • 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 1814-2261 available by request