Y507-4606 Screening compound: 3-[1-(5-methyl-3-nitro-1H-pyrazol-1-yl)propyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

Y507-4606 Screening compound: 3-[1-(5-methyl-3-nitro-1H-pyrazol-1-yl)propyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Y507-4606 Screening compound: 3-[1-(5-methyl-3-nitro-1H-pyrazol-1-yl)propyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y507-4606
3-[1-(5-methyl-3-nitro-1H-pyrazol-1-yl)propyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

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

Y507-4606

Molecular Formula

C14H20N6O2 (C14 H20 N6 O2)

Compound Name

3-[1-(5-methyl-3-nitro-1H-pyrazol-1-yl)propyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

IUPAC name

n/a

SMILES

CCC(c1nnc2n1CCCCC2)n(c(C)c1)nc1[N+]([O-])=O

InChI

InChI=1S/C14H20N6O2/c1-3-11(19-10(2)9-13(17-19)20(21)22)14-16-15-12-7-5-4-6-8-18(12)14/h9,11H,3-8H2,1-2H3/t11-/m0/s1

InChI Key

JSKVSCVVCJSQMO-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.572

Distribution Coefficient, logD

1.566

Water Solubility, LogSw

-1.49

Polar Surface Area

71.981

Acid Dissociation Constant (pKa)

20.56

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.30

References: we are preparing a list of scientific research reports with Y507-4606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y507-4606?
Check Price and Availability of Y507-4606, 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 Y507-4606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y507-4606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y507-4606
  • 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 Y507-4606 available by request