V023-6702 Screening compound: 4-[(4-methylphenyl)methyl]-N-[2-(morpholin-4-yl)ethyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V023-6702 Screening compound: 4-[(4-methylphenyl)methyl]-N-[2-(morpholin-4-yl)ethyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V023-6702 Screening compound: 4-[(4-methylphenyl)methyl]-N-[2-(morpholin-4-yl)ethyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-6702
4-[(4-methylphenyl)methyl]-N-[2-(morpholin-4-yl)ethyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-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

V023-6702

Molecular Formula

C27H33N5O4 (C27 H33 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1N(C(N1Cc2ccc(C)cc2)=O)N=C(C(NCCN2CCOCC2)=O)C1=O

InChI

InChI=1S/C27H33N5O4/c1-19(2)22-8-10-23(11-9-22)32-27(35)31(18-21-6-4-20(3)5-7-21)26(34)24(29-32)25(33)28-12-13-30-14-16-36-17-15-30/h4-11,19H,12-18H2,1-3H3,(H,28,33)

InChI Key

YUTMVHBRBXOXTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19840987

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

491.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.484

Distribution Coefficient, logD

3.453

Water Solubility, LogSw

-3.35

Polar Surface Area

78.391

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with V023-6702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-6702?
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What is the minimum amount of V023-6702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-6702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-6702
  • 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 V023-6702 available by request