Y020-7163 Screening compound: N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-1,3-benzoxazol-2-amine

Y020-7163 Screening compound: N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-1,3-benzoxazol-2-amine
Y020-7163 Screening compound: N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-1,3-benzoxazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7163
N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-1,3-benzoxazol-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

Y020-7163

Molecular Formula

C18H17N5O3 (C18 H17 N5 O3)

Compound Name

N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-1,3-benzoxazol-2-amine

IUPAC name

N-{5-[(2H-13-benzodioxol-5-yl)methyl]-1456-tetrahydro-135-triazin-2-yl}-13-benzoxazol-2-amine

SMILES

C(c(cc1)cc2c1OCO2)N1CN=C(Nc2nc(cccc3)c3o2)NC1

InChI

InChI=1S/C18H17N5O3/c1-2-4-14-13(3-1)21-18(26-14)22-17-19-9-23(10-20-17)8-12-5-6-15-16(7-12)25-11-24-15/h1-7H,8-11H2,(H2,19,20,21,22)

InChI Key

WMUWWZXCVWNEMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05839520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.206

Distribution Coefficient, logD

-2.461

Water Solubility, LogSw

-3.15

Polar Surface Area

68.555

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

10.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

Y020-7163 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-7163 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y020-7163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7163
  • 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 Y020-7163 available by request