8017-6423 Screening compound: 11-isobutyl-7,8,9,10-tetrahydro[1,2,4]triazolo[5'',1'':6',1']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline

8017-6423 Screening compound: 11-isobutyl-7,8,9,10-tetrahydro[1,2,4]triazolo[5'',1'':6',1']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
8017-6423 Screening compound: 11-isobutyl-7,8,9,10-tetrahydro[1,2,4]triazolo[5'',1'':6',1']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6423
11-isobutyl-7,8,9,10-tetrahydro[1,2,4]triazolo[5'',1'':6',1']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline

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

8017-6423

Molecular Formula

C18H19N5S (C18 H19 N5 S)

Compound Name

11-isobutyl-7,8,9,10-tetrahydro[1,2,4]triazolo[5'',1'':6',1']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline

IUPAC name

14-(2-methylpropyl)-11-thia-356813-pentaazapentacyclo[10.8.0.0^{210}.0^{59}.0^{1520}]icosa-1(12)2(10)3681315(20)-heptaene

SMILES

CC(C)Cc1c(CCCC2)c2c(c(ncn2ncnc22)c2s2)c2n1

InChI

InChI=1S/C18H19N5S/c1-10(2)7-13-11-5-3-4-6-12(11)14-15-16(24-18(14)22-13)17-19-8-21-23(17)9-20-15/h8-10H,3-7H2,1-2H3

InChI Key

RGTRLKOIAUKRCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03284408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.350

Distribution Coefficient, logD

4.349

Water Solubility, LogSw

-4.54

Polar Surface Area

43.620

Acid Dissociation Constant (pKa)

21.82

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

8017-6423 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-6423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6423?
Check Price and Availability of 8017-6423, 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 8017-6423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6423
  • 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 8017-6423 available by request