Y020-6661 Screening compound: N2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-1,3,5-triazine-2,4-diamine

Y020-6661 Screening compound: N2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-1,3,5-triazine-2,4-diamine
Y020-6661 Screening compound: N2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6661
N2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-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

Y020-6661

Molecular Formula

C23H27N7O3 (C23 H27 N7 O3)

Compound Name

N2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-1,3,5-triazine-2,4-diamine

IUPAC name

N2-(23-dihydro-14-benzodioxin-6-yl)-6-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-135-triazine-24-diamine

SMILES

COc1cccc(N2CCN(Cc3nc(Nc(cc4)cc5c4OCCO5)nc(N)n3)CC2)c1

InChI

InChI=1S/C23H27N7O3/c1-31-18-4-2-3-17(14-18)30-9-7-29(8-10-30)15-21-26-22(24)28-23(27-21)25-16-5-6-19-20(13-16)33-12-11-32-19/h2-6,13-14H,7-12,15H2,1H3,(H3,24,25,26,27,28)

InChI Key

JEJQPYZNVQEXEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06650109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.282

Distribution Coefficient, logD

2.261

Water Solubility, LogSw

-2.89

Polar Surface Area

91.968

Acid Dissociation Constant (pKa)

16.25

Base Dissociation Constant (pKb)

6.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with Y020-6661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6661?
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What is the minimum amount of Y020-6661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6661
  • 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 Y020-6661 available by request