4112-3886 Screening compound: 9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,3,4]tetraazolo[1,5-c]pyrimidine

4112-3886 Screening compound: 9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,3,4]tetraazolo[1,5-c]pyrimidine
4112-3886 Screening compound: 9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,3,4]tetraazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-3886
9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,3,4]tetraazolo[1,5-c]pyrimidine

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

4112-3886

Molecular Formula

C11H11N5S (C11 H11 N5 S)

Compound Name

9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,3,4]tetraazolo[1,5-c]pyrimidine

IUPAC name

13-methyl-10-thia-34568-pentaazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaene

SMILES

CC(CC1)Cc2c1c(c1nnnn1cn1)c1s2

InChI

InChI=1S/C11H11N5S/c1-6-2-3-7-8(4-6)17-11-9(7)10-13-14-15-16(10)5-12-11/h5-6H,2-4H2,1H3/t6-/m1/s1

InChI Key

ZLKDPOCKQPOGAY-ZCFIWIBFSA-N

MDL Number (MFCD)

MFCD02237952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.114

Distribution Coefficient, logD

2.114

Water Solubility, LogSw

-2.01

Polar Surface Area

49.265

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

4112-3886 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • 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 4112-3886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-3886?
Check Price and Availability of 4112-3886, 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 4112-3886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-3886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-3886
  • 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 4112-3886 available by request