7599-1888 Screening compound: methyl 1-[3,4-bis(acetyloxy)-5-[(acetyloxy)methyl]oxolan-2-yl]-1H-1,2,4-triazole-3-carboxylate

7599-1888 Screening compound: methyl 1-[3,4-bis(acetyloxy)-5-[(acetyloxy)methyl]oxolan-2-yl]-1H-1,2,4-triazole-3-carboxylate
7599-1888 Screening compound: methyl 1-[3,4-bis(acetyloxy)-5-[(acetyloxy)methyl]oxolan-2-yl]-1H-1,2,4-triazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7599-1888
methyl 1-[3,4-bis(acetyloxy)-5-[(acetyloxy)methyl]oxolan-2-yl]-1H-1,2,4-triazole-3-carboxylate

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

7599-1888

Molecular Formula

C15H19N3O9 (C15 H19 N3 O9)

Compound Name

methyl 1-[3,4-bis(acetyloxy)-5-[(acetyloxy)methyl]oxolan-2-yl]-1H-1,2,4-triazole-3-carboxylate

IUPAC name

methyl 1-[(2R3R4R5R)-34-bis(acetyloxy)-5-[(acetyloxy)methyl]oxolan-2-yl]-1H-124-triazole-3-carboxylate

SMILES

CC(OC[C@@H]([C@@H]([C@@H]1OC(C)=O)OC(C)=O)O[C@@H]1n1nc(C(OC)=O)nc1)=O

InChI

InChI=1S/C15H19N3O9/c1-7(19)24-5-10-11(25-8(2)20)12(26-9(3)21)14(27-10)18-6-16-13(17-18)15(22)23-4/h6,10-12,14H,5H2,1-4H3/t10-,11-,12+,14+/m1/s1

InChI Key

OLQDKJGHMNCLOH-NMKXLXIOSA-N

MDL Number (MFCD)

MFCD06593686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.33

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.249

Distribution Coefficient, logD

0.249

Water Solubility, LogSw

-0.85

Polar Surface Area

115.443

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

60.00

7599-1888 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Nucleoside Mimetics Library (2197 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7599-1888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7599-1888?
Check Price and Availability of 7599-1888, 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 7599-1888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7599-1888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7599-1888
  • 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 7599-1888 available by request