8020-0478 Screening compound: N-benzyl-N-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amine

8020-0478 Screening compound: N-benzyl-N-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amine
8020-0478 Screening compound: N-benzyl-N-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0478
N-benzyl-N-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amine

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

8020-0478

Molecular Formula

C18H17N5S (C18 H17 N5 S)

Compound Name

N-benzyl-N-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amine

IUPAC name

N-benzyl-10-thia-3568-tetraazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaen-7-amine

SMILES

C(c1ccccc1)Nc1nc(sc2c3CCCC2)c3c2ncnn12

InChI

InChI=1S/C18H17N5S/c1-2-6-12(7-3-1)10-19-18-22-17-15(16-20-11-21-23(16)18)13-8-4-5-9-14(13)24-17/h1-3,6-7,11H,4-5,8-10H2,(H,19,22)

InChI Key

HCFLDBAKMIAUPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05679042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.547

Distribution Coefficient, logD

3.546

Water Solubility, LogSw

-3.84

Polar Surface Area

44.457

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

8020-0478 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8020-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0478?
Check Price and Availability of 8020-0478, 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 8020-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0478
  • 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 8020-0478 available by request