V025-1717 Screening compound: 1-[4-({[4-benzyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine

V025-1717 Screening compound: 1-[4-({[4-benzyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine
V025-1717 Screening compound: 1-[4-({[4-benzyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-1717
1-[4-({[4-benzyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine

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

V025-1717

Molecular Formula

C29H30N6O3S (C29 H30 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)CCN1C(c1ccc(CSc2nnc(-c(cccc3)c3[N+]([O-])=O)n2Cc2ccccc2)cc1)=O

InChI

InChI=1S/C29H30N6O3S/c1-2-32-16-18-33(19-17-32)28(36)24-14-12-23(13-15-24)21-39-29-31-30-27(25-10-6-7-11-26(25)35(37)38)34(29)20-22-8-4-3-5-9-22/h3-15H,2,16-21H2,1H3

InChI Key

KAKYKRVFUMBUKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782212

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

542.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.771

Distribution Coefficient, logD

3.594

Water Solubility, LogSw

-3.94

Polar Surface Area

77.235

Acid Dissociation Constant (pKa)

18.02

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

V025-1717 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V025-1717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-1717?
Check Price and Availability of V025-1717, 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 V025-1717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-1717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-1717
  • 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 V025-1717 available by request