4477-2885 Screening compound: N2,N4-bis(4-methoxyphenyl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine

4477-2885 Screening compound: N2,N4-bis(4-methoxyphenyl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
4477-2885 Screening compound: N2,N4-bis(4-methoxyphenyl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-2885
N2,N4-bis(4-methoxyphenyl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-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

4477-2885

Molecular Formula

C20H20N8O2S (C20 H20 N8 O2 S)

Compound Name

N2,N4-bis(4-methoxyphenyl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine

IUPAC name

N2N4-bis(4-methoxyphenyl)-6-[(4-methyl-4H-124-triazol-3-yl)sulfanyl]-135-triazine-24-diamine

SMILES

Cn1c(Sc2nc(Nc(cc3)ccc3OC)nc(Nc(cc3)ccc3OC)n2)nnc1

InChI

InChI=1S/C20H20N8O2S/c1-28-12-21-27-20(28)31-19-25-17(22-13-4-8-15(29-2)9-5-13)24-18(26-19)23-14-6-10-16(30-3)11-7-14/h4-12H,1-3H3,(H2,22,23,24,25,26)

InChI Key

GEJYLFJPMSGWPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01562408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.784

Distribution Coefficient, logD

4.783

Water Solubility, LogSw

-4.59

Polar Surface Area

89.502

Acid Dissociation Constant (pKa)

18.63

Base Dissociation Constant (pKb)

4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

4477-2885 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 4477-2885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-2885?
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What is the minimum amount of 4477-2885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-2885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-2885
  • 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 4477-2885 available by request