4896-3076 Screening compound: 3-(isobutylsulfanyl)-10H-[1,2,4]triazolo[4',3':2,3][1,2,4]triazino[5,6-b]indole

4896-3076 Screening compound: 3-(isobutylsulfanyl)-10H-[1,2,4]triazolo[4',3':2,3][1,2,4]triazino[5,6-b]indole
4896-3076 Screening compound: 3-(isobutylsulfanyl)-10H-[1,2,4]triazolo[4',3':2,3][1,2,4]triazino[5,6-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-3076
3-(isobutylsulfanyl)-10H-[1,2,4]triazolo[4',3':2,3][1,2,4]triazino[5,6-b]indole

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

4896-3076

Molecular Formula

C14H14N6S (C14 H14 N6 S)

Compound Name

3-(isobutylsulfanyl)-10H-[1,2,4]triazolo[4',3':2,3][1,2,4]triazino[5,6-b]indole

IUPAC name

14-[(2-methylpropyl)sulfanyl]-81012131516-hexaazatetracyclo[7.7.0.0^{27}.0^{1115}]hexadeca-1(16)2(7)3591113-heptaene

SMILES

CC(C)CSc1nnc2nc3[nH]c(cccc4)c4c3nn12

InChI

InChI=1S/C14H14N6S/c1-8(2)7-21-14-18-17-13-16-12-11(19-20(13)14)9-5-3-4-6-10(9)15-12/h3-6,8H,7H2,1-2H3,(H,15,16,17)

InChI Key

DBKGMRXUJYVCDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01834497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.637

Distribution Coefficient, logD

2.637

Water Solubility, LogSw

-2.92

Polar Surface Area

54.441

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 4896-3076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-3076?
Check Price and Availability of 4896-3076, 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 4896-3076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-3076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-3076
  • 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 4896-3076 available by request