V030-1404 Screening compound: 1-[3-({[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine

V030-1404 Screening compound: 1-[3-({[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine
V030-1404 Screening compound: 1-[3-({[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-1404
1-[3-({[4-benzyl-5-(furan-2-yl)-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

V030-1404

Molecular Formula

C27H29N5O2S (C27 H29 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)CCN1C(c1cccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1)=O

InChI

InChI=1S/C27H29N5O2S/c1-2-30-13-15-31(16-14-30)26(33)23-11-6-10-22(18-23)20-35-27-29-28-25(24-12-7-17-34-24)32(27)19-21-8-4-3-5-9-21/h3-12,17-18H,2,13-16,19-20H2,1H3

InChI Key

HTIMECRGKBBXQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633838

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

487.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.550

Distribution Coefficient, logD

3.374

Water Solubility, LogSw

-3.63

Polar Surface Area

52.733

Acid Dissociation Constant (pKa)

18.85

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with V030-1404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-1404?
Check Price and Availability of V030-1404, 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 V030-1404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-1404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-1404
  • 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 V030-1404 available by request