K784-5903 Screening compound: 6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidine

K784-5903 Screening compound: 6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidine
K784-5903 Screening compound: 6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5903
6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-[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

K784-5903

Molecular Formula

C21H17ClFN5O2S (C21 H17 ClFN5 O2 S)

Compound Name

6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

6-[(2-chloro-4-fluorophenyl)methyl]-57-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-[124]triazolo[15-a]pyrimidine

SMILES

Cc1c(Cc(ccc(F)c2)c2Cl)c(C)nc2nc(SCc(cc3)ccc3[N+]([O-])=O)nn12

InChI

InChI=1S/C21H17ClFN5O2S/c1-12-18(9-15-5-6-16(23)10-19(15)22)13(2)27-20(24-12)25-21(26-27)31-11-14-3-7-17(8-4-14)28(29)30/h3-8,10H,9,11H2,1-2H3

InChI Key

JJIYNMGMZPVEDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.226

Distribution Coefficient, logD

5.226

Water Solubility, LogSw

-5.74

Polar Surface Area

62.936

Acid Dissociation Constant (pKa)

20.81

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with K784-5903 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5903?
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What is the minimum amount of K784-5903 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5903
  • 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 K784-5903 available by request