C215-0046 Screening compound: 1-METHYL-N-{[4-(PROPAN-2-YL)PHENYL]METHYL}-1H-1,3-BENZODIAZOL-5-AMINE

C215-0046 Screening compound: 1-METHYL-N-{[4-(PROPAN-2-YL)PHENYL]METHYL}-1H-1,3-BENZODIAZOL-5-AMINE
C215-0046 Screening compound: 1-METHYL-N-{[4-(PROPAN-2-YL)PHENYL]METHYL}-1H-1,3-BENZODIAZOL-5-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound C215-0046
1-METHYL-N-{[4-(PROPAN-2-YL)PHENYL]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

C215-0046

Molecular Formula

C18H21N3 (C18 H21 N3)

Compound Name

1-METHYL-N-{[4-(PROPAN-2-YL)PHENYL]METHYL}-1H-1,3-BENZODIAZOL-5-AMINE

IUPAC name

n/a

SMILES

CC(C)c1ccc(CNc(cc2)cc3c2n(C)cn3)cc1

InChI

InChI=1S/C18H21N3/c1-13(2)15-6-4-14(5-7-15)11-19-16-8-9-18-17(10-16)20-12-21(18)3/h4-10,12-13,19H,11H2,1-3H3

InChI Key

JXYSKVHDCDWOKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.38

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.999

Distribution Coefficient, logD

3.504

Water Solubility, LogSw

-4.11

Polar Surface Area

21.485

Acid Dissociation Constant (pKa)

19.57

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

C215-0046 in Drug Discovery

Included in Screening Libraries

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 C215-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C215-0046?
Check Price and Availability of C215-0046, 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 C215-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C215-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C215-0046
  • 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 C215-0046 available by request