V013-9387 Screening compound: 2-(4-chlorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-(1-phenylethyl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V013-9387 Screening compound: 2-(4-chlorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-(1-phenylethyl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V013-9387 Screening compound: 2-(4-chlorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-(1-phenylethyl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-9387
2-(4-chlorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-(1-phenylethyl)-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

V013-9387

Molecular Formula

C21H21ClN4O4 (C21 H21 ClN4 O4)

Compound Name

2-(4-chlorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-(1-phenylethyl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

IUPAC name

2-(4-chlorophenyl)-N-(2-methoxyethyl)-35-dioxo-4-(1-phenylethyl)-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

CC(c1ccccc1)N(C(C(C(NCCOC)=O)=NN1c(cc2)ccc2Cl)=O)C1=O

InChI

InChI=1S/C21H21ClN4O4/c1-14(15-6-4-3-5-7-15)25-20(28)18(19(27)23-12-13-30-2)24-26(21(25)29)17-10-8-16(22)9-11-17/h3-11,14H,12-13H2,1-2H3,(H,23,27)/t14-/m0/s1

InChI Key

QOAWALCSPUDULU-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD19837872

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

428.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.910

Distribution Coefficient, logD

2.909

Water Solubility, LogSw

-3.56

Polar Surface Area

74.455

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with V013-9387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9387?
Check Price and Availability of V013-9387, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V013-9387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9387
  • 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 V013-9387 available by request