V012-5839 Screening compound: ethyl 1-{4-[(2-fluorophenyl)methyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-4-carboxylate

V012-5839 Screening compound: ethyl 1-{4-[(2-fluorophenyl)methyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-4-carboxylate
V012-5839 Screening compound: ethyl 1-{4-[(2-fluorophenyl)methyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-5839
ethyl 1-{4-[(2-fluorophenyl)methyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-4-carboxylate

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

V012-5839

Molecular Formula

C28H31FN4O5 (C28 H31 FN4 O5)

Compound Name

ethyl 1-{4-[(2-fluorophenyl)methyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{4-[(2-fluorophenyl)methyl]-35-dioxo-2-[4-(propan-2-yl)phenyl]-2345-tetrahydro-124-triazine-6-carbonyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(C(C(N1Cc(cccc2)c2F)=O)=NN(c2ccc(C(C)C)cc2)C1=O)=O)=O

InChI

InChI=1S/C28H31FN4O5/c1-4-38-27(36)20-13-15-31(16-14-20)25(34)24-26(35)32(17-21-7-5-6-8-23(21)29)28(37)33(30-24)22-11-9-19(10-12-22)18(2)3/h5-12,18,20H,4,13-17H2,1-3H3

InChI Key

ZLJDYJMRHXPDGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19837324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.628

Distribution Coefficient, logD

4.628

Water Solubility, LogSw

-4.16

Polar Surface Area

79.647

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with V012-5839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-5839?
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What is the minimum amount of V012-5839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-5839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-5839
  • 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 V012-5839 available by request