V020-8645 Screening compound: 4-ethyl-2-(3-methylphenyl)-6-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

V020-8645 Screening compound: 4-ethyl-2-(3-methylphenyl)-6-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
V020-8645 Screening compound: 4-ethyl-2-(3-methylphenyl)-6-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-8645
4-ethyl-2-(3-methylphenyl)-6-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

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

V020-8645

Molecular Formula

C17H20N4O4 (C17 H20 N4 O4)

Compound Name

4-ethyl-2-(3-methylphenyl)-6-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

IUPAC name

4-ethyl-2-(3-methylphenyl)-6-(morpholine-4-carbonyl)-2345-tetrahydro-124-triazine-35-dione

SMILES

CCN(C(C(C(N1CCOCC1)=O)=NN1c2cc(C)ccc2)=O)C1=O

InChI

InChI=1S/C17H20N4O4/c1-3-20-16(23)14(15(22)19-7-9-25-10-8-19)18-21(17(20)24)13-6-4-5-12(2)11-13/h4-6,11H,3,7-10H2,1-2H3

InChI Key

LSSWZCKVWCVJOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10452432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.309

Distribution Coefficient, logD

1.309

Water Solubility, LogSw

-1.97

Polar Surface Area

66.798

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

V020-8645 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V020-8645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-8645?
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What is the minimum amount of V020-8645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-8645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-8645
  • 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 V020-8645 available by request