V023-5837 Screening compound: 4-[(3-methylphenyl)methyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-N-[2-(pyridin-2-yl)ethyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V023-5837 Screening compound: 4-[(3-methylphenyl)methyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-N-[2-(pyridin-2-yl)ethyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V023-5837 Screening compound: 4-[(3-methylphenyl)methyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-N-[2-(pyridin-2-yl)ethyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-5837
4-[(3-methylphenyl)methyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-N-[2-(pyridin-2-yl)ethyl]-2,3,4,5-tetrahydro-1,2,4-triazine-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

V023-5837

Molecular Formula

C28H29N5O3 (C28 H29 N5 O3)

Compound Name

4-[(3-methylphenyl)methyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-N-[2-(pyridin-2-yl)ethyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

IUPAC name

4-[(3-methylphenyl)methyl]-35-dioxo-2-[4-(propan-2-yl)phenyl]-N-[2-(pyridin-2-yl)ethyl]-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

CC(C)c(cc1)ccc1N(C(N1Cc2cc(C)ccc2)=O)N=C(C(NCCc2ncccc2)=O)C1=O

InChI

InChI=1S/C28H29N5O3/c1-19(2)22-10-12-24(13-11-22)33-28(36)32(18-21-8-6-7-20(3)17-21)27(35)25(31-33)26(34)30-16-14-23-9-4-5-15-29-23/h4-13,15,17,19H,14,16,18H2,1-3H3,(H,30,34)

InChI Key

SAUUZBUDDSXJRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19837338

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

483.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.661

Distribution Coefficient, logD

4.660

Water Solubility, LogSw

-4.32

Polar Surface Area

76.043

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V023-5837 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V023-5837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-5837?
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What is the minimum amount of V023-5837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-5837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-5837
  • 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 V023-5837 available by request