K832-3611 Screening compound: ethyl 7-(2,3-dimethoxyphenyl)-5-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

K832-3611 Screening compound: ethyl 7-(2,3-dimethoxyphenyl)-5-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
K832-3611 Screening compound: ethyl 7-(2,3-dimethoxyphenyl)-5-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K832-3611
ethyl 7-(2,3-dimethoxyphenyl)-5-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

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

K832-3611

Molecular Formula

C17H17F3N4O4 (C17 H17 F3 N4 O4)

Compound Name

ethyl 7-(2,3-dimethoxyphenyl)-5-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 7-(23-dimethoxyphenyl)-5-(trifluoromethyl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCOC(C1=C(C(F)(F)F)Nc2ncnn2C1c(cccc1OC)c1OC)=O

InChI

InChI=1S/C17H17F3N4O4/c1-4-28-15(25)11-12(9-6-5-7-10(26-2)13(9)27-3)24-16(21-8-22-24)23-14(11)17(18,19)20/h5-8,12H,4H2,1-3H3,(H,21,22,23)/t12-/m1/s1

InChI Key

QEWPEMXZDHNPNK-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD15110136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.876

Distribution Coefficient, logD

-1.317

Water Solubility, LogSw

-3.30

Polar Surface Area

74.592

Acid Dissociation Constant (pKa)

3.21

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

K832-3611 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K832-3611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-3611?
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What is the minimum amount of K832-3611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-3611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-3611
  • 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 K832-3611 available by request