8010-3569 Screening compound: 1,3-dimethyl-3a,9a-diphenyl-3,3a,9,9a-tetrahydroimidazo[4,5-e][1,3]thiazolo[3,2-b][1,2,4]triazine-2,7(1H,6H)-dione

8010-3569 Screening compound: 1,3-dimethyl-3a,9a-diphenyl-3,3a,9,9a-tetrahydroimidazo[4,5-e][1,3]thiazolo[3,2-b][1,2,4]triazine-2,7(1H,6H)-dione
8010-3569 Screening compound: 1,3-dimethyl-3a,9a-diphenyl-3,3a,9,9a-tetrahydroimidazo[4,5-e][1,3]thiazolo[3,2-b][1,2,4]triazine-2,7(1H,6H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3569
1,3-dimethyl-3a,9a-diphenyl-3,3a,9,9a-tetrahydroimidazo[4,5-e][1,3]thiazolo[3,2-b][1,2,4]triazine-2,7(1H,6H)-dione

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

8010-3569

Molecular Formula

C20H19N5O2S (C20 H19 N5 O2 S)

Compound Name

1,3-dimethyl-3a,9a-diphenyl-3,3a,9,9a-tetrahydroimidazo[4,5-e][1,3]thiazolo[3,2-b][1,2,4]triazine-2,7(1H,6H)-dione

IUPAC name

46-dimethyl-37-diphenyl-10-thia-12468-pentaazatricyclo[7.3.0.0^{37}]dodec-8-ene-512-dione

SMILES

CN(C1(c2ccccc2)NN(C(CS2)=O)C2=NC1(c1ccccc1)N1C)C1=O

InChI

InChI=1S/C20H19N5O2S/c1-23-18(27)24(2)20(15-11-7-4-8-12-15)19(23,14-9-5-3-6-10-14)21-17-25(22-20)16(26)13-28-17/h3-12,22H,13H2,1-2H3

InChI Key

ZECIXDRLCSFTLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01087851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.814

Distribution Coefficient, logD

2.814

Water Solubility, LogSw

-3.20

Polar Surface Area

59.961

Acid Dissociation Constant (pKa)

22.76

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

8010-3569 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
Agro:
  • Agro
  • Agro
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with 8010-3569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3569?
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What is the minimum amount of 8010-3569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3569
  • 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 8010-3569 available by request