D643-0039 Screening compound: 2-[1-(2-methoxyphenoxy)ethyl]-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

D643-0039 Screening compound: 2-[1-(2-methoxyphenoxy)ethyl]-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
D643-0039 Screening compound: 2-[1-(2-methoxyphenoxy)ethyl]-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D643-0039
2-[1-(2-methoxyphenoxy)ethyl]-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

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

D643-0039

Molecular Formula

C21H19N5O2S (C21 H19 N5 O2 S)

Compound Name

2-[1-(2-methoxyphenoxy)ethyl]-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

4-[1-(2-methoxyphenoxy)ethyl]-1113-dimethyl-16-thia-356814-pentaazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)247101214-heptaene

SMILES

CC(c1nn(cnc2c3sc4nc(C)cc(C)c24)c3n1)Oc(cccc1)c1OC

InChI

InChI=1S/C21H19N5O2S/c1-11-9-12(2)23-21-16(11)17-18(29-21)20-24-19(25-26(20)10-22-17)13(3)28-15-8-6-5-7-14(15)27-4/h5-10,13H,1-4H3/t13-/m0/s1

InChI Key

ZGRFMNNXKLNRGH-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD12965662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.295

Distribution Coefficient, logD

4.149

Water Solubility, LogSw

-4.61

Polar Surface Area

54.533

Acid Dissociation Constant (pKa)

28.83

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

D643-0039 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with D643-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D643-0039?
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What is the minimum amount of D643-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D643-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D643-0039
  • 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 D643-0039 available by request