8016-2444 Screening compound: 5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-ol

8016-2444 Screening compound: 5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-ol
8016-2444 Screening compound: 5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2444
5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-ol

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

8016-2444

Molecular Formula

C16H17N3OS (C16 H17 N3 OS)

Compound Name

5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-ol

IUPAC name

8-(propan-2-yl)-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaen-13-ol

SMILES

CC(C)c1c(CCCC2)c2c(c2ncnc(O)c2s2)c2n1

InChI

InChI=1S/C16H17N3OS/c1-8(2)12-10-6-4-3-5-9(10)11-13-14(21-16(11)19-12)15(20)18-7-17-13/h7-8H,3-6H2,1-2H3,(H,17,18,20)

InChI Key

SJCUIRNGPRXCAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02236789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.409

Distribution Coefficient, logD

4.097

Water Solubility, LogSw

-4.43

Polar Surface Area

47.906

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

8016-2444 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-2444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2444?
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What is the minimum amount of 8016-2444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2444
  • 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 8016-2444 available by request