8017-6349 Screening compound: methyl 4-(4-chlorophenyl)-2-oxo-6-(1H-1,2,4-triazol-1-ylmethyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

8017-6349 Screening compound: methyl 4-(4-chlorophenyl)-2-oxo-6-(1H-1,2,4-triazol-1-ylmethyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
8017-6349 Screening compound: methyl 4-(4-chlorophenyl)-2-oxo-6-(1H-1,2,4-triazol-1-ylmethyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6349
methyl 4-(4-chlorophenyl)-2-oxo-6-(1H-1,2,4-triazol-1-ylmethyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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

8017-6349

Molecular Formula

C15H14ClN5O3 (C15 H14 ClN5 O3)

Compound Name

methyl 4-(4-chlorophenyl)-2-oxo-6-(1H-1,2,4-triazol-1-ylmethyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

methyl 4-(4-chlorophenyl)-2-oxo-6-[(1H-124-triazol-1-yl)methyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

COC(C(C(c(cc1)ccc1Cl)N1)=C(Cn2ncnc2)NC1=O)=O

InChI

InChI=1S/C15H14ClN5O3/c1-24-14(22)12-11(6-21-8-17-7-18-21)19-15(23)20-13(12)9-2-4-10(16)5-3-9/h2-5,7-8,13H,6H2,1H3,(H2,19,20,23)/t13-/m0/s1

InChI Key

KTXFVEFFUFVGMQ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD06617072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.76

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.705

Distribution Coefficient, logD

0.469

Water Solubility, LogSw

-2.56

Polar Surface Area

82.449

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8017-6349 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8017-6349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6349?
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What is the minimum amount of 8017-6349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6349
  • 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 8017-6349 available by request