5848-0049 Screening compound: ethyl 7-(4-hydroxy-3-methoxy-5-nitrophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

5848-0049 Screening compound: ethyl 7-(4-hydroxy-3-methoxy-5-nitrophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
5848-0049 Screening compound: ethyl 7-(4-hydroxy-3-methoxy-5-nitrophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5848-0049
ethyl 7-(4-hydroxy-3-methoxy-5-nitrophenyl)-5-methyl-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

5848-0049

Molecular Formula

C16H17N5O6 (C16 H17 N5 O6)

Compound Name

ethyl 7-(4-hydroxy-3-methoxy-5-nitrophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 7-(4-hydroxy-3-methoxy-5-nitrophenyl)-5-methyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCOC(C1=C(C)Nc2ncnn2C1c(cc1OC)cc([N+]([O-])=O)c1O)=O

InChI

InChI=1S/C16H17N5O6/c1-4-27-15(23)12-8(2)19-16-17-7-18-20(16)13(12)9-5-10(21(24)25)14(22)11(6-9)26-3/h5-7,13,22H,4H2,1-3H3,(H,17,18,19)/t13-/m0/s1

InChI Key

UYRCRPXKGACVJM-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03786328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.951

Distribution Coefficient, logD

1.138

Water Solubility, LogSw

-2.48

Polar Surface Area

114.934

Acid Dissociation Constant (pKa)

6.66

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

5848-0049 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 5848-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5848-0049?
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What is the minimum amount of 5848-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5848-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5848-0049
  • 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 5848-0049 available by request