V020-2875 Screening compound: 4-methyl-N-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-3-nitrobenzamide

V020-2875 Screening compound: 4-methyl-N-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-3-nitrobenzamide
V020-2875 Screening compound: 4-methyl-N-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-2875
4-methyl-N-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-3-nitrobenzamide

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

V020-2875

Molecular Formula

C27H25F3N4O5 (C27 H25 F3 N4 O5)

Compound Name

4-methyl-N-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-3-nitrobenzamide

IUPAC name

4-methyl-N-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-13-diazinan-1-yl)phenyl]-3-nitrobenzamide

SMILES

Cc(cc1)cc(NC(c2cc([N+]([O-])=O)c(C)cc2)=O)c1N(CCCN1Cc(cc2)ccc2OC(F)(F)F)C1=O

InChI

InChI=1S/C27H25F3N4O5/c1-17-4-11-23(22(14-17)31-25(35)20-8-5-18(2)24(15-20)34(37)38)33-13-3-12-32(26(33)36)16-19-6-9-21(10-7-19)39-27(28,29)30/h4-11,14-15H,3,12-13,16H2,1-2H3,(H,31,35)

InChI Key

OCZAQNFKMSCOFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.51

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

6.179

Distribution Coefficient, logD

6.127

Water Solubility, LogSw

-5.39

Polar Surface Area

80.907

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

V020-2875 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V020-2875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-2875?
Check Price and Availability of V020-2875, 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 V020-2875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-2875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-2875
  • 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 V020-2875 available by request