3455-3034 Screening compound: 4-(1H-1,2,3-benzotriazole-1-carbonyl)-N,N-diethylaniline

3455-3034 Screening compound: 4-(1H-1,2,3-benzotriazole-1-carbonyl)-N,N-diethylaniline
3455-3034 Screening compound: 4-(1H-1,2,3-benzotriazole-1-carbonyl)-N,N-diethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3455-3034
4-(1H-1,2,3-benzotriazole-1-carbonyl)-N,N-diethylaniline

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

3455-3034

Molecular Formula

C17H18N4O (C17 H18 N4 O)

Compound Name

4-(1H-1,2,3-benzotriazole-1-carbonyl)-N,N-diethylaniline

IUPAC name

4-(1H-123-benzotriazole-1-carbonyl)-NN-diethylaniline

SMILES

CCN(CC)c(cc1)ccc1C(n1nnc2c1cccc2)=O

InChI

InChI=1S/C17H18N4O/c1-3-20(4-2)14-11-9-13(10-12-14)17(22)21-16-8-6-5-7-15(16)18-19-21/h5-12H,3-4H2,1-2H3

InChI Key

YEVQJKWVWNHPCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01196105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.933

Distribution Coefficient, logD

2.931

Water Solubility, LogSw

-3.10

Polar Surface Area

41.733

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 3455-3034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3455-3034?
Check Price and Availability of 3455-3034, 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 3455-3034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3455-3034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3455-3034
  • 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 3455-3034 available by request