4593-6171 Screening compound: 7-(4-fluorophenyl)-5-methyl-N-phenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxamide

4593-6171 Screening compound: 7-(4-fluorophenyl)-5-methyl-N-phenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxamide
4593-6171 Screening compound: 7-(4-fluorophenyl)-5-methyl-N-phenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-6171
7-(4-fluorophenyl)-5-methyl-N-phenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxamide

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

4593-6171

Molecular Formula

C18H15FN6O (C18 H15 FN6 O)

Compound Name

7-(4-fluorophenyl)-5-methyl-N-phenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

7-(4-fluorophenyl)-5-methyl-N-phenyl-4H7H-[1234]tetrazolo[15-a]pyrimidine-6-carboxamide

SMILES

CC(Nc1nnnn1C1c(cc2)ccc2F)=C1C(Nc1ccccc1)=O

InChI

InChI=1S/C18H15FN6O/c1-11-15(17(26)21-14-5-3-2-4-6-14)16(12-7-9-13(19)10-8-12)25-18(20-11)22-23-24-25/h2-10,16H,1H3,(H,21,26)(H,20,22,24)/t16-/m0/s1

InChI Key

XXDMZQZPZMYINL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02971598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.597

Distribution Coefficient, logD

2.582

Water Solubility, LogSw

-3.12

Polar Surface Area

75.558

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 4593-6171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-6171?
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What is the minimum amount of 4593-6171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-6171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-6171
  • 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 4593-6171 available by request