5510-0976 Screening compound: 2-(2,3-dimethoxyphenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one

5510-0976 Screening compound: 2-(2,3-dimethoxyphenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
5510-0976 Screening compound: 2-(2,3-dimethoxyphenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5510-0976
2-(2,3-dimethoxyphenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-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

5510-0976

Molecular Formula

C18H21N3O3S (C18 H21 N3 O3 S)

Compound Name

2-(2,3-dimethoxyphenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one

IUPAC name

5-(23-dimethoxyphenyl)-11-methyl-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-3-one

SMILES

CN(CC1)Cc2c1c(C(NC(c(cccc1OC)c1OC)N1)=O)c1s2

InChI

InChI=1S/C18H21N3O3S/c1-21-8-7-10-13(9-21)25-18-14(10)17(22)19-16(20-18)11-5-4-6-12(23-2)15(11)24-3/h4-6,16,20H,7-9H2,1-3H3,(H,19,22)/t16-/m1/s1

InChI Key

YAESTPFYWFHKMJ-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.635

Distribution Coefficient, logD

0.698

Water Solubility, LogSw

-2.44

Polar Surface Area

54.957

Acid Dissociation Constant (pKa)

12.10

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with 5510-0976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5510-0976?
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What is the minimum amount of 5510-0976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5510-0976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5510-0976
  • 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 5510-0976 available by request