C215-0033 Screening compound: 1-tert-butyl-N-[(4-ethylphenyl)methyl]-1H-1,3-benzodiazol-5-amine

C215-0033 Screening compound: 1-tert-butyl-N-[(4-ethylphenyl)methyl]-1H-1,3-benzodiazol-5-amine
C215-0033 Screening compound: 1-tert-butyl-N-[(4-ethylphenyl)methyl]-1H-1,3-benzodiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C215-0033
1-tert-butyl-N-[(4-ethylphenyl)methyl]-1H-1,3-benzodiazol-5-amine

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

C215-0033

Molecular Formula

C20H25N3 (C20 H25 N3)

Compound Name

1-tert-butyl-N-[(4-ethylphenyl)methyl]-1H-1,3-benzodiazol-5-amine

IUPAC name

1-tert-butyl-N-[(4-ethylphenyl)methyl]-1H-13-benzodiazol-5-amine

SMILES

CCc1ccc(CNc(cc2)cc3c2n(C(C)(C)C)cn3)cc1

InChI

InChI=1S/C20H25N3/c1-5-15-6-8-16(9-7-15)13-21-17-10-11-19-18(12-17)22-14-23(19)20(2,3)4/h6-12,14,21H,5,13H2,1-4H3

InChI Key

VPAKCAAWYQQFFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11855434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.44

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.553

Distribution Coefficient, logD

4.551

Water Solubility, LogSw

-4.29

Polar Surface Area

22.084

Acid Dissociation Constant (pKa)

19.57

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C215-0033 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C215-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C215-0033?
Check Price and Availability of C215-0033, 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 C215-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C215-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C215-0033
  • 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 C215-0033 available by request