V027-9461 Screening compound: 1-[3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-methylpiperazine

V027-9461 Screening compound: 1-[3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-methylpiperazine
V027-9461 Screening compound: 1-[3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9461
1-[3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-methylpiperazine

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

V027-9461

Molecular Formula

C28H28ClN5OS (C28 H28 ClN5 OS)

Compound Name

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

IUPAC name

1-[3-({[5-benzyl-4-(3-chlorophenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-methylpiperazine

SMILES

CN(CC1)CCN1C(c1cccc(CSc2nnc(Cc3ccccc3)n2-c2cccc(Cl)c2)c1)=O

InChI

InChI=1S/C28H28ClN5OS/c1-32-13-15-33(16-14-32)27(35)23-10-5-9-22(17-23)20-36-28-31-30-26(18-21-7-3-2-4-8-21)34(28)25-12-6-11-24(29)19-25/h2-12,17,19H,13-16,18,20H2,1H3

InChI Key

YSMIHRMPOAXUHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27632379

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

518.08

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.292

Distribution Coefficient, logD

4.161

Water Solubility, LogSw

-4.47

Polar Surface Area

45.814

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V027-9461 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V027-9461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9461?
Check Price and Availability of V027-9461, 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 V027-9461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9461
  • 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 V027-9461 available by request