8020-5595 Screening compound: 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-7,9-dimethyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one

8020-5595 Screening compound: 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-7,9-dimethyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
8020-5595 Screening compound: 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-7,9-dimethyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5595
2-(3-chloro-4-hydroxy-5-methoxyphenyl)-7,9-dimethyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-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

8020-5595

Molecular Formula

C18H16ClN3O3S (C18 H16 ClN3 O3 S)

Compound Name

2-(3-chloro-4-hydroxy-5-methoxyphenyl)-7,9-dimethyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one

IUPAC name

4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1113-dimethyl-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-6-one

SMILES

Cc1c(c(NC(c(cc2OC)cc(Cl)c2O)NC2=O)c2s2)c2nc(C)c1

InChI

InChI=1S/C18H16ClN3O3S/c1-7-4-8(2)20-18-12(7)13-15(26-18)17(24)22-16(21-13)9-5-10(19)14(23)11(6-9)25-3/h4-6,16,21,23H,1-3H3,(H,22,24)/t16-/m0/s1

InChI Key

BMKNEEHTNAGZHG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD26098016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.280

Distribution Coefficient, logD

3.092

Water Solubility, LogSw

-3.43

Polar Surface Area

66.761

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

8020-5595 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Carbonic Anhydrase II Library (4939 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8020-5595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5595?
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What is the minimum amount of 8020-5595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5595
  • 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 8020-5595 available by request