3993-1920 Screening compound: 3-ethyl-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine

3993-1920 Screening compound: 3-ethyl-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
3993-1920 Screening compound: 3-ethyl-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3993-1920
3-ethyl-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-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

3993-1920

Molecular Formula

C14H16N4S (C14 H16 N4 S)

Compound Name

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

IUPAC name

5-ethyl-13-methyl-10-thia-3468-tetraazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaene

SMILES

CCc1nnc2n1cnc1c2c(CCC(C)C2)c2s1

InChI

InChI=1S/C14H16N4S/c1-3-11-16-17-13-12-9-5-4-8(2)6-10(9)19-14(12)15-7-18(11)13/h7-8H,3-6H2,1-2H3/t8-/m1/s1

InChI Key

HHBHXLPAPVRWAB-MRVPVSSYSA-N

MDL Number (MFCD)

MFCD02329032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.729

Distribution Coefficient, logD

2.728

Water Solubility, LogSw

-2.98

Polar Surface Area

34.501

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

3993-1920 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3993-1920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3993-1920?
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What is the minimum amount of 3993-1920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3993-1920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3993-1920
  • 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 3993-1920 available by request