8013-0194 Screening compound: 2-(1H-1,2,3-benzotriazol-1-yl)-3-(diethylamino)-1,4-dihydronaphthalene-1,4-dione

8013-0194 Screening compound: 2-(1H-1,2,3-benzotriazol-1-yl)-3-(diethylamino)-1,4-dihydronaphthalene-1,4-dione
8013-0194 Screening compound: 2-(1H-1,2,3-benzotriazol-1-yl)-3-(diethylamino)-1,4-dihydronaphthalene-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0194
2-(1H-1,2,3-benzotriazol-1-yl)-3-(diethylamino)-1,4-dihydronaphthalene-1,4-dione

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

8013-0194

Molecular Formula

C20H18N4O2 (C20 H18 N4 O2)

Compound Name

2-(1H-1,2,3-benzotriazol-1-yl)-3-(diethylamino)-1,4-dihydronaphthalene-1,4-dione

IUPAC name

2-(1H-123-benzotriazol-1-yl)-3-(diethylamino)-14-dihydronaphthalene-14-dione

SMILES

CCN(CC)C(C(c(cccc1)c1C1=O)=O)=C1n1nnc2c1cccc2

InChI

InChI=1S/C20H18N4O2/c1-3-23(4-2)17-18(24-16-12-8-7-11-15(16)21-22-24)20(26)14-10-6-5-9-13(14)19(17)25/h5-12H,3-4H2,1-2H3

InChI Key

OQDAMAITBCVWCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03285162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.531

Distribution Coefficient, logD

3.502

Water Solubility, LogSw

-3.94

Polar Surface Area

54.587

Acid Dissociation Constant (pKa)

30.00

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8013-0194 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0194?
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What is the minimum amount of 8013-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0194
  • 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 8013-0194 available by request