6540-0089 Screening compound: ethyl 4-hydroxy-2-phenyl-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate

6540-0089 Screening compound: ethyl 4-hydroxy-2-phenyl-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
6540-0089 Screening compound: ethyl 4-hydroxy-2-phenyl-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6540-0089
ethyl 4-hydroxy-2-phenyl-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate

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

6540-0089

Molecular Formula

C18H19N3O3S (C18 H19 N3 O3 S)

Compound Name

ethyl 4-hydroxy-2-phenyl-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate

IUPAC name

ethyl 3-hydroxy-5-phenyl-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)3-triene-11-carboxylate

SMILES

CCOC(N(CC1)Cc2c1c(C(O)=NC(c1ccccc1)N1)c1s2)=O

InChI

InChI=1S/C18H19N3O3S/c1-2-24-18(23)21-9-8-12-13(10-21)25-17-14(12)16(22)19-15(20-17)11-6-4-3-5-7-11/h3-7,15,20H,2,8-10H2,1H3,(H,19,22)/t15-/m1/s1

InChI Key

QGDXDCDCMOGGIM-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14711742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.114

Distribution Coefficient, logD

3.028

Water Solubility, LogSw

-3.30

Polar Surface Area

58.323

Acid Dissociation Constant (pKa)

8.07

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

6540-0089 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6540-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6540-0089?
Check Price and Availability of 6540-0089, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6540-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6540-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6540-0089
  • 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 6540-0089 available by request