D643-0006 Screening compound: (7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl (4-isopropylphenyl) ether

D643-0006 Screening compound: (7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl (4-isopropylphenyl) ether
D643-0006 Screening compound: (7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl (4-isopropylphenyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D643-0006
(7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl (4-isopropylphenyl) 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

D643-0006

Molecular Formula

C22H21N5OS (C22 H21 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 (4-isopropylphenyl) ether

IUPAC name

1113-dimethyl-4-{[4-(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(cc1)ccc1OCc1nn(cnc2c3sc4nc(C)cc(C)c24)c3n1

InChI

InChI=1S/C22H21N5OS/c1-12(2)15-5-7-16(8-6-15)28-10-17-25-21-20-19(23-11-27(21)26-17)18-13(3)9-14(4)24-22(18)29-20/h5-9,11-12H,10H2,1-4H3

InChI Key

NSXYHJVEECJTAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.51

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

5.173

Distribution Coefficient, logD

5.027

Water Solubility, LogSw

-5.32

Polar Surface Area

48.517

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D643-0006 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D643-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D643-0006?
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What is the minimum amount of D643-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D643-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D643-0006
  • 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 D643-0006 available by request