2713-0104 Screening compound: 8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,6,9-tetrahydro-1H-purine-2,6-dione

2713-0104 Screening compound: 8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,6,9-tetrahydro-1H-purine-2,6-dione
2713-0104 Screening compound: 8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,6,9-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2713-0104
8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,6,9-tetrahydro-1H-purine-2,6-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

2713-0104

Molecular Formula

C10H11BrN4O6 (C10 H11 BrN4 O6)

Compound Name

8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,6,9-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-bromo-9-[34-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2369-tetrahydro-1H-purine-26-dione

SMILES

OCC(C(C1O)O)OC1n1c(Br)nc(C(N2)=O)c1NC2=O

InChI

InChI=1S/C10H11BrN4O6/c11-9-12-3-6(13-10(20)14-7(3)19)15(9)8-5(18)4(17)2(1-16)21-8/h2,4-5,8,16-18H,1H2,(H2,13,14,19,20)

InChI Key

YLAPSBFYSPSPLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01011734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.12

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.852

Distribution Coefficient, logD

-1.384

Water Solubility, LogSw

-1.55

Polar Surface Area

119.342

Acid Dissociation Constant (pKa)

7.02

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

50.00

2713-0104 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Mimetics
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2713-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2713-0104?
Check Price and Availability of 2713-0104, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2713-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2713-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2713-0104
  • 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 2713-0104 available by request