8010-4180 Screening compound: N2,N4-bis(2,4-dimethylphenyl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine

8010-4180 Screening compound: N2,N4-bis(2,4-dimethylphenyl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
8010-4180 Screening compound: N2,N4-bis(2,4-dimethylphenyl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4180
N2,N4-bis(2,4-dimethylphenyl)-6-[(5-methyl-1,3,4-thiadiazol-2-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

8010-4180

Molecular Formula

C22H23N7S2 (C22 H23 N7 S2)

Compound Name

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

IUPAC name

N2N4-bis(24-dimethylphenyl)-6-[(5-methyl-134-thiadiazol-2-yl)sulfanyl]-135-triazine-24-diamine

SMILES

Cc1nnc(Sc2nc(Nc3c(C)cc(C)cc3)nc(Nc3c(C)cc(C)cc3)n2)s1

InChI

InChI=1S/C22H23N7S2/c1-12-6-8-17(14(3)10-12)23-19-25-20(24-18-9-7-13(2)11-15(18)4)27-21(26-19)31-22-29-28-16(5)30-22/h6-11H,1-5H3,(H2,23,24,25,26,27)

InChI Key

JJWQLEDZEZQPIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01859201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.233

Distribution Coefficient, logD

7.232

Water Solubility, LogSw

-5.76

Polar Surface Area

69.924

Acid Dissociation Constant (pKa)

18.60

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

8010-4180 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8010-4180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4180?
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What is the minimum amount of 8010-4180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4180
  • 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 8010-4180 available by request