Y020-6645 Screening compound: 6-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-N2-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

Y020-6645 Screening compound: 6-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-N2-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
Y020-6645 Screening compound: 6-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-N2-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6645
6-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-N2-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

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

Y020-6645

Molecular Formula

C28H28F3N7 (C28 H28 F3 N7)

Compound Name

6-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-N2-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

IUPAC name

6-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-N2-[3-(trifluoromethyl)phenyl]-135-triazine-24-diamine

SMILES

Nc1nc(CN(CC2)CCN2C(c2ccccc2)c2ccccc2)nc(Nc2cccc(C(F)(F)F)c2)n1

InChI

InChI=1S/C28H28F3N7/c29-28(30,31)22-12-7-13-23(18-22)33-27-35-24(34-26(32)36-27)19-37-14-16-38(17-15-37)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,25H,14-17,19H2,(H3,32,33,34,35,36)

InChI Key

IWPJMBAUUVXIBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07773741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.870

Distribution Coefficient, logD

5.833

Water Solubility, LogSw

-6.30

Polar Surface Area

67.902

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y020-6645 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y020-6645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6645?
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What is the minimum amount of Y020-6645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6645
  • 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 Y020-6645 available by request