8001-5616 Screening compound: (1S,8S,9R)-10,14-dioxa-2,3,5,7-tetraazatetracyclo[6.4.1.1~9,12~.0~2,6~]tetradeca-3,5-dien-8-ol

8001-5616 Screening compound: (1S,8S,9R)-10,14-dioxa-2,3,5,7-tetraazatetracyclo[6.4.1.1~9,12~.0~2,6~]tetradeca-3,5-dien-8-ol
8001-5616 Screening compound: (1S,8S,9R)-10,14-dioxa-2,3,5,7-tetraazatetracyclo[6.4.1.1~9,12~.0~2,6~]tetradeca-3,5-dien-8-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-5616
(1S,8S,9R)-10,14-dioxa-2,3,5,7-tetraazatetracyclo[6.4.1.1~9,12~.0~2,6~]tetradeca-3,5-dien-8-ol

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

8001-5616

Molecular Formula

C8H10N4O3 (C8 H10 N4 O3)

Compound Name

(1S,8S,9R)-10,14-dioxa-2,3,5,7-tetraazatetracyclo[6.4.1.1~9,12~.0~2,6~]tetradeca-3,5-dien-8-ol

IUPAC name

(1S9R)-1014-dioxa-2357-tetraazatetracyclo[6.4.1.1^{912}.0^{26}]tetradeca-35-dien-8-ol

SMILES

OC1(C2)Nc3ncnn3[C@@H]2C2O[C@H]1OC2

InChI

InChI=1S/C8H10N4O3/c13-8-1-4(5-2-14-6(8)15-5)12-7(11-8)9-3-10-12/h3-6,13H,1-2H2,(H,9,10,11)/t4-,5?,6-,8?/m1/s1

InChI Key

CKPZNYOUMUEEAZ-ABLAFXCMSA-N

MDL Number (MFCD)

MFCD01325024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

210.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.807

Distribution Coefficient, logD

-0.807

Water Solubility, LogSw

-1.30

Polar Surface Area

72.944

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

75.00

8001-5616 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8001-5616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-5616?
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What is the minimum amount of 8001-5616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-5616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-5616
  • 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 8001-5616 available by request