8017-8641 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-7,9-dimethyl-3-phenyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione

8017-8641 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-7,9-dimethyl-3-phenyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
8017-8641 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-7,9-dimethyl-3-phenyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8641
1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-7,9-dimethyl-3-phenyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-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

8017-8641

Molecular Formula

C19H20N6O4S (C19 H20 N6 O4 S)

Compound Name

1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-7,9-dimethyl-3-phenyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione

IUPAC name

1-(11-dioxo-1lambda6-thiolan-3-yl)-79-dimethyl-3-phenyl-1H4H6H7H8H9H-[124]triazino[43-g]purine-68-dione

SMILES

CN(c1c(C(N2C)=O)n(CC(c3ccccc3)=NN3C(CC4)CS4(=O)=O)c3n1)C2=O

InChI

InChI=1S/C19H20N6O4S/c1-22-16-15(17(26)23(2)19(22)27)24-10-14(12-6-4-3-5-7-12)21-25(18(24)20-16)13-8-9-30(28,29)11-13/h3-7,13H,8-11H2,1-2H3/t13-/m1/s1

InChI Key

XIXWUHQJAKQVRE-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD06618835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.667

Distribution Coefficient, logD

1.667

Water Solubility, LogSw

-2.30

Polar Surface Area

83.463

Acid Dissociation Constant (pKa)

16.17

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.84

References: we are preparing a list of scientific research reports with 8017-8641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8641?
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What is the minimum amount of 8017-8641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8641
  • 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 8017-8641 available by request