D643-0017 Screening compound: (7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl (2-isopropyl-5-methylphenyl) ether

D643-0017 Screening compound: (7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl (2-isopropyl-5-methylphenyl) ether
D643-0017 Screening compound: (7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl (2-isopropyl-5-methylphenyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D643-0017
(7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl (2-isopropyl-5-methylphenyl) ether

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

D643-0017

Molecular Formula

C23H23N5OS (C23 H23 N5 OS)

Compound Name

(7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl (2-isopropyl-5-methylphenyl) ether

IUPAC name

1113-dimethyl-4-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-16-thia-356814-pentaazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)247101214-heptaene

SMILES

CC(C)c(ccc(C)c1)c1OCc1nn(cnc2c3sc4nc(C)cc(C)c24)c3n1

InChI

InChI=1S/C23H23N5OS/c1-12(2)16-7-6-13(3)8-17(16)29-10-18-26-22-21-20(24-11-28(22)27-18)19-14(4)9-15(5)25-23(19)30-21/h6-9,11-12H,10H2,1-5H3

InChI Key

QMNUDLVEAFTVIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12965659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.616

Distribution Coefficient, logD

5.471

Water Solubility, LogSw

-5.74

Polar Surface Area

48.603

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

D643-0017 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with D643-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D643-0017?
Check Price and Availability of D643-0017, 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 D643-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D643-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D643-0017
  • 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 D643-0017 available by request