V026-8334 Screening compound: 4-methyl-N-{4-[3-(3-methylbenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-3-nitrobenzamide

V026-8334 Screening compound: 4-methyl-N-{4-[3-(3-methylbenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-3-nitrobenzamide
V026-8334 Screening compound: 4-methyl-N-{4-[3-(3-methylbenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-8334
4-methyl-N-{4-[3-(3-methylbenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]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

V026-8334

Molecular Formula

C26H26N4O4 (C26 H26 N4 O4)

Compound Name

4-methyl-N-{4-[3-(3-methylbenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-3-nitrobenzamide

IUPAC name

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

SMILES

Cc1cccc(CN(CCCN2c(cc3)ccc3NC(c3cc([N+]([O-])=O)c(C)cc3)=O)C2=O)c1

InChI

InChI=1S/C26H26N4O4/c1-18-5-3-6-20(15-18)17-28-13-4-14-29(26(28)32)23-11-9-22(10-12-23)27-25(31)21-8-7-19(2)24(16-21)30(33)34/h3,5-12,15-16H,4,13-14,17H2,1-2H3,(H,27,31)

InChI Key

FLBDGBIWZOUNNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19929523

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

458.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.243

Distribution Coefficient, logD

5.241

Water Solubility, LogSw

-5.08

Polar Surface Area

75.969

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

References: we are preparing a list of scientific research reports with V026-8334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-8334?
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What is the minimum amount of V026-8334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-8334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-8334
  • 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 V026-8334 available by request