V009-1814 Screening compound: 2-ethyl-N-[1-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2-phenylethyl]hexanamide

V009-1814 Screening compound: 2-ethyl-N-[1-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2-phenylethyl]hexanamide
V009-1814 Screening compound: 2-ethyl-N-[1-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2-phenylethyl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-1814
2-ethyl-N-[1-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2-phenylethyl]hexanamide

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

V009-1814

Molecular Formula

C32H37N5O3S (C32 H37 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

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

InChI Key

UITLUBYIFXKYAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19841942

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

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.659

Distribution Coefficient, logD

7.659

Water Solubility, LogSw

-5.58

Polar Surface Area

82.409

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.40

References: we are preparing a list of scientific research reports with V009-1814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-1814?
Check Price and Availability of V009-1814, 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 V009-1814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-1814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-1814
  • 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 V009-1814 available by request