V027-9527 Screening compound: 1-[3-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine

V027-9527 Screening compound: 1-[3-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine
V027-9527 Screening compound: 1-[3-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9527
1-[3-({[5-benzyl-4-(4-methylphenyl)-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

V027-9527

Molecular Formula

C30H33N5OS (C30 H33 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)CCN1C(c1cccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(C)cc2)c1)=O

InChI

InChI=1S/C30H33N5OS/c1-3-33-16-18-34(19-17-33)29(36)26-11-7-10-25(20-26)22-37-30-32-31-28(21-24-8-5-4-6-9-24)35(30)27-14-12-23(2)13-15-27/h4-15,20H,3,16-19,21-22H2,1-2H3

InChI Key

XLDDDQVAAQQIHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27632437

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

511.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.451

Distribution Coefficient, logD

4.275

Water Solubility, LogSw

-4.27

Polar Surface Area

45.874

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

V027-9527 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V027-9527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9527?
Check Price and Availability of V027-9527, 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 V027-9527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9527
  • 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 V027-9527 available by request