K832-4116 Screening compound: 7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(3-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

K832-4116 Screening compound: 7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(3-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine
K832-4116 Screening compound: 7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(3-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K832-4116
7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(3-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]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

K832-4116

Molecular Formula

C20H17F2N5O4 (C20 H17 F2 N5 O4)

Compound Name

7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(3-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(3-nitrophenyl)-4H7H-[124]triazolo[15-a]pyrimidine

SMILES

CCOc(cc(C1n2ncnc2NC(c2cc([N+]([O-])=O)ccc2)=C1)cc1)c1OC(F)F

InChI

InChI=1S/C20H17F2N5O4/c1-2-30-18-9-13(6-7-17(18)31-19(21)22)16-10-15(25-20-23-11-24-26(16)20)12-4-3-5-14(8-12)27(28)29/h3-11,16,19H,2H2,1H3,(H,23,24,25)/t16-/m0/s1

InChI Key

ZDOVLKMDVGIDBA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15110179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.586

Distribution Coefficient, logD

3.571

Water Solubility, LogSw

-3.75

Polar Surface Area

85.883

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with K832-4116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-4116?
Check Price and Availability of K832-4116, 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 K832-4116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-4116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-4116
  • 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 K832-4116 available by request