6882-0085 Screening compound: 4,7-DIMETHYL-N-[5-(2-PHENYLETHYL)-1,4,5,6-TETRAHYDRO-1,3,5-TRIAZIN-2-YL]QUINAZOLIN-2-AMINE

6882-0085 Screening compound: 4,7-DIMETHYL-N-[5-(2-PHENYLETHYL)-1,4,5,6-TETRAHYDRO-1,3,5-TRIAZIN-2-YL]QUINAZOLIN-2-AMINE
6882-0085 Screening compound: 4,7-DIMETHYL-N-[5-(2-PHENYLETHYL)-1,4,5,6-TETRAHYDRO-1,3,5-TRIAZIN-2-YL]QUINAZOLIN-2-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 6882-0085
4,7-DIMETHYL-N-[5-(2-PHENYLETHYL)-1,4,5,6-TETRAHYDRO-1,3,5-TRIAZIN-2-YL]QUINAZOLIN-2-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

6882-0085

Molecular Formula

C21H24N6 (C21 H24 N6)

Compound Name

4,7-DIMETHYL-N-[5-(2-PHENYLETHYL)-1,4,5,6-TETRAHYDRO-1,3,5-TRIAZIN-2-YL]QUINAZOLIN-2-AMINE

IUPAC name

n/a

SMILES

Cc1ccc(c(C)nc(NC2=NCN(CCc3ccccc3)CN2)n2)c2c1

InChI

InChI=1S/C21H24N6/c1-15-8-9-18-16(2)24-21(25-19(18)12-15)26-20-22-13-27(14-23-20)11-10-17-6-4-3-5-7-17/h3-9,12H,10-11,13-14H2,1-2H3,(H2,22,23,24,25,26)

InChI Key

PQEHCZXURZXUJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04169222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.501

Distribution Coefficient, logD

-1.120

Water Solubility, LogSw

-4.42

Polar Surface Area

53.020

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

10.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

6882-0085 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 6882-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6882-0085?
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What is the minimum amount of 6882-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6882-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6882-0085
  • 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 6882-0085 available by request