V029-7938 Screening compound: 1-[2-({[5-benzyl-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine

V029-7938 Screening compound: 1-[2-({[5-benzyl-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine
V029-7938 Screening compound: 1-[2-({[5-benzyl-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-7938
1-[2-({[5-benzyl-4-(2-methoxyphenyl)-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

V029-7938

Molecular Formula

C30H33N5O2S (C30 H33 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)CCN1C(c1c(CSc2nnc(Cc3ccccc3)n2-c(cccc2)c2OC)cccc1)=O

InChI

InChI=1S/C30H33N5O2S/c1-3-33-17-19-34(20-18-33)29(36)25-14-8-7-13-24(25)22-38-30-32-31-28(21-23-11-5-4-6-12-23)35(30)26-15-9-10-16-27(26)37-2/h4-16H,3,17-22H2,1-2H3

InChI Key

BXVPCKSOIMDGCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633358

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

527.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.232

Distribution Coefficient, logD

4.056

Water Solubility, LogSw

-4.27

Polar Surface Area

53.203

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

V029-7938 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V029-7938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-7938?
Check Price and Availability of V029-7938, 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 V029-7938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-7938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-7938
  • 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 V029-7938 available by request