8018-8904 Screening compound: 9-(methoxymethyl)-2-(4-methoxyphenyl)-7-methyl-3-(1H-pyrrol-1-yl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

8018-8904 Screening compound: 9-(methoxymethyl)-2-(4-methoxyphenyl)-7-methyl-3-(1H-pyrrol-1-yl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
8018-8904 Screening compound: 9-(methoxymethyl)-2-(4-methoxyphenyl)-7-methyl-3-(1H-pyrrol-1-yl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8904
9-(methoxymethyl)-2-(4-methoxyphenyl)-7-methyl-3-(1H-pyrrol-1-yl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

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

8018-8904

Molecular Formula

C23H20N4O3S (C23 H20 N4 O3 S)

Compound Name

9-(methoxymethyl)-2-(4-methoxyphenyl)-7-methyl-3-(1H-pyrrol-1-yl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

IUPAC name

13-(methoxymethyl)-4-(4-methoxyphenyl)-11-methyl-5-(1H-pyrrol-1-yl)-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

Cc1cc(COC)c(c(N=C(c(cc2)ccc2OC)N(C2=O)n3cccc3)c2s2)c2n1

InChI

InChI=1S/C23H20N4O3S/c1-14-12-16(13-29-2)18-19-20(31-22(18)24-14)23(28)27(26-10-4-5-11-26)21(25-19)15-6-8-17(30-3)9-7-15/h4-12H,13H2,1-3H3

InChI Key

KVBYJAIISMFNGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.708

Distribution Coefficient, logD

3.708

Water Solubility, LogSw

-4.20

Polar Surface Area

55.710

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 8018-8904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8904?
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What is the minimum amount of 8018-8904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8904
  • 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 8018-8904 available by request