K832-4553 Screening compound: 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-ethylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

K832-4553 Screening compound: 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-ethylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine
K832-4553 Screening compound: 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-ethylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K832-4553
7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-ethylphenyl)-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

K832-4553

Molecular Formula

C20H17BrF2N4O (C20 H17 BrF2 N4 O)

Compound Name

7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-ethylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-ethylphenyl)-4H7H-[124]triazolo[15-a]pyrimidine

SMILES

CCc(cc1)ccc1C1=CC(c(cc(cc2)Br)c2OC(F)F)n2ncnc2N1

InChI

InChI=1S/C20H17BrF2N4O/c1-2-12-3-5-13(6-4-12)16-10-17(27-20(26-16)24-11-25-27)15-9-14(21)7-8-18(15)28-19(22)23/h3-11,17,19H,2H2,1H3,(H,24,25,26)/t17-/m0/s1

InChI Key

FTVUWJGVSCEKPL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15110332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.556

Distribution Coefficient, logD

5.555

Water Solubility, LogSw

-5.59

Polar Surface Area

45.292

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with K832-4553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-4553?
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What is the minimum amount of K832-4553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-4553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-4553
  • 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 K832-4553 available by request