V028-2011 Screening compound: 1-ethyl-4-[4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine

V028-2011 Screening compound: 1-ethyl-4-[4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine
V028-2011 Screening compound: 1-ethyl-4-[4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-2011
1-ethyl-4-[4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine

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

V028-2011

Molecular Formula

C25H30N6O4S (C25 H30 N6 O4 S)

Compound Name

1-ethyl-4-[4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine

IUPAC name

1-ethyl-4-[4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine

SMILES

CCN(CC1)CCN1C(c1ccc(CSc2nnc(-c(cc3)ccc3[N+]([O-])=O)n2CCOC)cc1)=O

InChI

InChI=1S/C25H30N6O4S/c1-3-28-12-14-29(15-13-28)24(32)21-6-4-19(5-7-21)18-36-25-27-26-23(30(25)16-17-35-2)20-8-10-22(11-9-20)31(33)34/h4-11H,3,12-18H2,1-2H3

InChI Key

NMDQKUBIBGMIPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27632591

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

510.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.728

Distribution Coefficient, logD

2.552

Water Solubility, LogSw

-2.94

Polar Surface Area

86.128

Acid Dissociation Constant (pKa)

19.25

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with V028-2011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-2011?
Check Price and Availability of V028-2011, 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 V028-2011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-2011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-2011
  • 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 V028-2011 available by request