8015-0649 Screening compound: 4-(diphenylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl cyanide

8015-0649 Screening compound: 4-(diphenylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl cyanide
8015-0649 Screening compound: 4-(diphenylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0649
4-(diphenylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl cyanide

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

8015-0649

Molecular Formula

C20H18N6 (C20 H18 N6)

Compound Name

4-(diphenylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl cyanide

IUPAC name

4-(diphenylamino)-6-(pyrrolidin-1-yl)-135-triazine-2-carbonitrile

SMILES

N#Cc1nc(N2CCCC2)nc(N(c2ccccc2)c2ccccc2)n1

InChI

InChI=1S/C20H18N6/c21-15-18-22-19(25-13-7-8-14-25)24-20(23-18)26(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-14H2

InChI Key

RCFRVQFKBHAWED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.797

Distribution Coefficient, logD

4.797

Water Solubility, LogSw

-4.78

Polar Surface Area

51.499

Acid Dissociation Constant (pKa)

18.25

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8015-0649 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0649?
Check Price and Availability of 8015-0649, 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 8015-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0649
  • 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 8015-0649 available by request