4593-6041 Screening compound: 7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

4593-6041 Screening compound: 7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
4593-6041 Screening compound: 7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-6041
7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[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

4593-6041

Molecular Formula

C19H15Cl2N5O (C19 H15 Cl2 N5 O)

Compound Name

7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

7-(24-dichlorophenyl)-5-methyl-N-phenyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

CC(Nc1ncnn1C1c(ccc(Cl)c2)c2Cl)=C1C(Nc1ccccc1)=O

InChI

InChI=1S/C19H15Cl2N5O/c1-11-16(18(27)25-13-5-3-2-4-6-13)17(26-19(24-11)22-10-23-26)14-8-7-12(20)9-15(14)21/h2-10,17H,1H3,(H,25,27)(H,22,23,24)/t17-/m0/s1

InChI Key

UMEJVRUZAFSVJE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02971518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.335

Distribution Coefficient, logD

4.334

Water Solubility, LogSw

-4.46

Polar Surface Area

61.081

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

4593-6041 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4593-6041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-6041?
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What is the minimum amount of 4593-6041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-6041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-6041
  • 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 4593-6041 available by request