4333-3750 Screening compound: 10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-ylhydrosulfide

4333-3750 Screening compound: 10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-ylhydrosulfide
4333-3750 Screening compound: 10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4333-3750
10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-ylhydrosulfide

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

4333-3750

Molecular Formula

C14H16N4OS3 (C14 H16 N4 OS3)

Compound Name

10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-ylhydrosulfide

IUPAC name

14-ethyl-14-methyl-7-(methylsulfanyl)-13-oxa-10-thia-3468-tetraazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaene-5-thiol

SMILES

CCC(C)(C1)OCc2c1c(c(n1c(SC)n3)nnc1S)c3s2

InChI

InChI=1S/C14H16N4OS3/c1-4-14(2)5-7-8(6-19-14)22-11-9(7)10-16-17-12(20)18(10)13(15-11)21-3/h4-6H2,1-3H3,(H,17,20)/t14-/m0/s1

InChI Key

KGQPASCZDUDBRX-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02631167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.122

Distribution Coefficient, logD

2.334

Water Solubility, LogSw

-3.08

Polar Surface Area

41.661

Acid Dissociation Constant (pKa)

6.69

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

4333-3750 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4333-3750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4333-3750?
Check Price and Availability of 4333-3750, 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 4333-3750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4333-3750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4333-3750
  • 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 4333-3750 available by request