V005-1385 Screening compound: 4-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-6-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

V005-1385 Screening compound: 4-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-6-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
V005-1385 Screening compound: 4-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-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 V005-1385
4-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-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

V005-1385

Molecular Formula

C22H21ClN4O5 (C22 H21 ClN4 O5)

Compound Name

4-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-6-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

IUPAC name

4-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-6-(morpholine-4-carbonyl)-2345-tetrahydro-124-triazine-35-dione

SMILES

COc1cccc(N(C(N2Cc(cccc3)c3Cl)=O)N=C(C(N3CCOCC3)=O)C2=O)c1

InChI

InChI=1S/C22H21ClN4O5/c1-31-17-7-4-6-16(13-17)27-22(30)26(14-15-5-2-3-8-18(15)23)21(29)19(24-27)20(28)25-9-11-32-12-10-25/h2-8,13H,9-12,14H2,1H3

InChI Key

AJKKYPQOHSQZPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19834613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.89

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.731

Distribution Coefficient, logD

2.731

Water Solubility, LogSw

-3.37

Polar Surface Area

74.345

Acid Dissociation Constant (pKa)

28.99

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

V005-1385 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 V005-1385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-1385?
Check Price and Availability of V005-1385, 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 V005-1385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-1385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-1385
  • 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 V005-1385 available by request