D049-0359 Screening compound: 2-[2-(3,4-dimethoxybenzyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3-benzothiazole

D049-0359 Screening compound: 2-[2-(3,4-dimethoxybenzyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3-benzothiazole
D049-0359 Screening compound: 2-[2-(3,4-dimethoxybenzyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D049-0359
2-[2-(3,4-dimethoxybenzyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3-benzothiazole

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

D049-0359

Molecular Formula

C22H17N7O2S (C22 H17 N7 O2 S)

Compound Name

2-[2-(3,4-dimethoxybenzyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3-benzothiazole

IUPAC name

10-(13-benzothiazol-2-yl)-4-[(34-dimethoxyphenyl)methyl]-35681011-hexaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

COc(ccc(Cc1nn(cnc2c3cnn2-c2nc(cccc4)c4s2)c3n1)c1)c1OC

InChI

InChI=1S/C22H17N7O2S/c1-30-16-8-7-13(9-17(16)31-2)10-19-26-21-14-11-24-29(20(14)23-12-28(21)27-19)22-25-15-5-3-4-6-18(15)32-22/h3-9,11-12H,10H2,1-2H3

InChI Key

SYZXLVXWVLLWMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.985

Distribution Coefficient, logD

3.983

Water Solubility, LogSw

-4.16

Polar Surface Area

70.228

Acid Dissociation Constant (pKa)

28.61

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D049-0359 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D049-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D049-0359?
Check Price and Availability of D049-0359, 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 D049-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D049-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D049-0359
  • 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 D049-0359 available by request