8601-0106 Screening compound: 5-amino-3-[({1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}methyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyrimidin-7-ol

8601-0106 Screening compound: 5-amino-3-[({1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}methyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyrimidin-7-ol
8601-0106 Screening compound: 5-amino-3-[({1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}methyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyrimidin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8601-0106
5-amino-3-[({1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}methyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyrimidin-7-ol

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

8601-0106

Molecular Formula

C14H10F3N9OS (C14 H10 F3 N9 OS)

Compound Name

5-amino-3-[({1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}methyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyrimidin-7-ol

IUPAC name

5-amino-3-[({1-[3-(trifluoromethyl)phenyl]-1H-1234-tetrazol-5-yl}methyl)sulfanyl]-[124]triazolo[43-a]pyrimidin-7-ol

SMILES

Nc(n12)cc(O)nc2nnc1SCc1nnnn1-c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C14H10F3N9OS/c15-14(16,17)7-2-1-3-8(4-7)26-10(20-23-24-26)6-28-13-22-21-12-19-11(27)5-9(18)25(12)13/h1-5H,6,18H2,(H,19,21,27)

InChI Key

YIROTCYYAJYHCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08292166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.373

Distribution Coefficient, logD

1.157

Water Solubility, LogSw

-1.31

Polar Surface Area

109.383

Acid Dissociation Constant (pKa)

7.59

Base Dissociation Constant (pKb)

1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 8601-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8601-0106?
Check Price and Availability of 8601-0106, 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 8601-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8601-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8601-0106
  • 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 8601-0106 available by request