V009-1803 Screening compound: N-[1-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2-phenylethyl]octanamide

V009-1803 Screening compound: N-[1-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2-phenylethyl]octanamide
V009-1803 Screening compound: N-[1-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2-phenylethyl]octanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-1803
N-[1-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2-phenylethyl]octanamide

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

V009-1803

Molecular Formula

C32H37N5O3S (C32 H37 N5 O3 S)

Compound Name

N-[1-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2-phenylethyl]octanamide

IUPAC name

N-[1-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-124-triazol-3-yl)-2-phenylethyl]octanamide

SMILES

CCCCCCCC(NC(Cc1ccccc1)c(n1-c(cc2)ccc2[N+]([O-])=O)nnc1SCc1cc(C)ccc1)=O

InChI

InChI=1S/C32H37N5O3S/c1-3-4-5-6-10-16-30(38)33-29(22-25-13-8-7-9-14-25)31-34-35-32(41-23-26-15-11-12-24(2)21-26)36(31)27-17-19-28(20-18-27)37(39)40/h7-9,11-15,17-21,29H,3-6,10,16,22-23H2,1-2H3,(H,33,38)/t29-/m0/s1

InChI Key

FLSNYAYAMKATTQ-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD19841795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

571.74

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.903

Distribution Coefficient, logD

7.903

Water Solubility, LogSw

-5.52

Polar Surface Area

82.196

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.40

References: we are preparing a list of scientific research reports with V009-1803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-1803?
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What is the minimum amount of V009-1803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-1803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-1803
  • 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 V009-1803 available by request