8018-8008 Screening compound: 4-[9-(methoxymethyl)-7-methyl-4-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]phenyl methyl ether

8018-8008 Screening compound: 4-[9-(methoxymethyl)-7-methyl-4-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]phenyl methyl ether
8018-8008 Screening compound: 4-[9-(methoxymethyl)-7-methyl-4-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8008
4-[9-(methoxymethyl)-7-methyl-4-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]phenyl methyl 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

8018-8008

Molecular Formula

C25H21N3O2S (C25 H21 N3 O2 S)

Compound Name

4-[9-(methoxymethyl)-7-methyl-4-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]phenyl methyl ether

IUPAC name

13-(methoxymethyl)-4-(4-methoxyphenyl)-11-methyl-6-phenyl-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaene

SMILES

Cc1cc(COC)c(c2nc(-c(cc3)ccc3OC)nc(-c3ccccc3)c2s2)c2n1

InChI

InChI=1S/C25H21N3O2S/c1-15-13-18(14-29-2)20-22-23(31-25(20)26-15)21(16-7-5-4-6-8-16)27-24(28-22)17-9-11-19(30-3)12-10-17/h4-13H,14H2,1-3H3

InChI Key

DPXRYYIWZFDSKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08532396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.222

Distribution Coefficient, logD

6.219

Water Solubility, LogSw

-6.02

Polar Surface Area

45.017

Acid Dissociation Constant (pKa)

27.04

Base Dissociation Constant (pKb)

5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

8018-8008 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-8008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8008?
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What is the minimum amount of 8018-8008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8008
  • 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 8018-8008 available by request