8451-04786 Screening compound: N2-(4-methoxyphenyl)-6-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,3,5-triazine-2,4-diamine

8451-04786 Screening compound: N2-(4-methoxyphenyl)-6-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,3,5-triazine-2,4-diamine
8451-04786 Screening compound: N2-(4-methoxyphenyl)-6-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8451-04786
N2-(4-methoxyphenyl)-6-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}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

8451-04786

Molecular Formula

C18H16N8O2S (C18 H16 N8 O2 S)

Compound Name

N2-(4-methoxyphenyl)-6-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,3,5-triazine-2,4-diamine

IUPAC name

N2-(4-methoxyphenyl)-6-({[5-(pyridin-4-yl)-134-oxadiazol-2-yl]sulfanyl}methyl)-135-triazine-24-diamine

SMILES

COc(cc1)ccc1Nc1nc(N)nc(CSc2nnc(-c3ccncc3)o2)n1

InChI

InChI=1S/C18H16N8O2S/c1-27-13-4-2-12(3-5-13)21-17-23-14(22-16(19)24-17)10-29-18-26-25-15(28-18)11-6-8-20-9-7-11/h2-9H,10H2,1H3,(H3,19,21,22,23,24)

InChI Key

NQKGBZGQMSXTRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04175610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.423

Distribution Coefficient, logD

2.423

Water Solubility, LogSw

-2.65

Polar Surface Area

108.406

Acid Dissociation Constant (pKa)

17.32

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8451-04786 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 8451-04786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8451-04786?
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What is the minimum amount of 8451-04786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8451-04786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8451-04786
  • 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 8451-04786 available by request