D643-0011 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-methylphenyl) ether

D643-0011 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-methylphenyl) ether
D643-0011 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-methylphenyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D643-0011
(7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl (2-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

D643-0011

Molecular Formula

C20H17N5OS (C20 H17 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-methylphenyl) ether

IUPAC name

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

SMILES

Cc1c(c(ncn2nc(COc3c(C)cccc3)nc22)c2s2)c2nc(C)c1

InChI

InChI=1S/C20H17N5OS/c1-11-6-4-5-7-14(11)26-9-15-23-19-18-17(21-10-25(19)24-15)16-12(2)8-13(3)22-20(16)27-18/h4-8,10H,9H2,1-3H3

InChI Key

LPDRMJGOXZUGJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12965658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.309

Distribution Coefficient, logD

4.164

Water Solubility, LogSw

-4.63

Polar Surface Area

48.603

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D643-0011 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 D643-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D643-0011?
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What is the minimum amount of D643-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D643-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D643-0011
  • 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 D643-0011 available by request