D205-0444 Screening compound: 2-(8-hydroxy-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1H-isoindole-1,3(2H)-dione

D205-0444 Screening compound: 2-(8-hydroxy-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1H-isoindole-1,3(2H)-dione
D205-0444 Screening compound: 2-(8-hydroxy-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1H-isoindole-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D205-0444
2-(8-hydroxy-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1H-isoindole-1,3(2H)-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

D205-0444

Molecular Formula

C16H11N5O3 (C16 H11 N5 O3)

Compound Name

2-(8-hydroxy-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1H-isoindole-1,3(2H)-dione

IUPAC name

2-{2-hydroxy-181012-tetraazatricyclo[7.3.0.0^{37}]dodeca-27911-tetraen-11-yl}-23-dihydro-1H-isoindole-13-dione

SMILES

Oc1c(CCC2)c2nc2nc(N(C(c3c4cccc3)=O)C4=O)nn12

InChI

InChI=1S/C16H11N5O3/c22-12-8-4-1-2-5-9(8)13(23)20(12)16-18-15-17-11-7-3-6-10(11)14(24)21(15)19-16/h1-2,4-5,24H,3,6-7H2

InChI Key

YTMKEAFVBIFREJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.556

Distribution Coefficient, logD

1.206

Water Solubility, LogSw

-2.16

Polar Surface Area

78.783

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D205-0444 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 D205-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D205-0444?
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What is the minimum amount of D205-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D205-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D205-0444
  • 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 D205-0444 available by request