8019-5905 Screening compound: 3-(9-benzyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenol

8019-5905 Screening compound: 3-(9-benzyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenol
8019-5905 Screening compound: 3-(9-benzyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5905
3-(9-benzyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenol

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

8019-5905

Molecular Formula

C23H19N5OS (C23 H19 N5 OS)

Compound Name

3-(9-benzyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenol

IUPAC name

3-{13-benzyl-10-thia-356813-pentaazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaen-4-yl}phenol

SMILES

Oc1cccc(-c2nn(cnc3c4c(CCN(Cc5ccccc5)C5)c5s3)c4n2)c1

InChI

InChI=1S/C23H19N5OS/c29-17-8-4-7-16(11-17)21-25-22-20-18-9-10-27(12-15-5-2-1-3-6-15)13-19(18)30-23(20)24-14-28(22)26-21/h1-8,11,14,29H,9-10,12-13H2

InChI Key

CRCNRJFPVYVAFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06792952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.093

Distribution Coefficient, logD

4.011

Water Solubility, LogSw

-4.23

Polar Surface Area

54.667

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

5.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

8019-5905 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Immunological Library (6760 compounds)

Carbonic Anhydrase II Library (4939 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8019-5905 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8019-5905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5905
  • 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 8019-5905 available by request