Y020-8277 Screening compound: 6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-N2-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine

Y020-8277 Screening compound: 6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-N2-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine
Y020-8277 Screening compound: 6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-N2-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-8277
6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-N2-(4-phenoxyphenyl)-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

Y020-8277

Molecular Formula

C28H29N7O3 (C28 H29 N7 O3)

Compound Name

6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-N2-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine

IUPAC name

6-({4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-N2-(4-phenoxyphenyl)-135-triazine-24-diamine

SMILES

Nc1nc(CN2CCN(Cc(cc3)cc4c3OCO4)CC2)nc(Nc(cc2)ccc2Oc2ccccc2)n1

InChI

InChI=1S/C28H29N7O3/c29-27-31-26(18-35-14-12-34(13-15-35)17-20-6-11-24-25(16-20)37-19-36-24)32-28(33-27)30-21-7-9-23(10-8-21)38-22-4-2-1-3-5-22/h1-11,16H,12-15,17-19H2,(H3,29,30,31,32,33)

InChI Key

DTMAGRCSPNYHIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07773742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.444

Distribution Coefficient, logD

3.292

Water Solubility, LogSw

-4.47

Polar Surface Area

92.744

Acid Dissociation Constant (pKa)

17.41

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y020-8277 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 Y020-8277 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y020-8277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-8277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-8277
  • 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 Y020-8277 available by request