V011-8162 Screening compound: N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-3-(methylsulfanyl)propanamide

V011-8162 Screening compound: N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-3-(methylsulfanyl)propanamide
V011-8162 Screening compound: N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-3-(methylsulfanyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-8162
N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-3-(methylsulfanyl)propanamide

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

V011-8162

Molecular Formula

C17H21Cl2N3OS (C17 H21 Cl2 N3 OS)

Compound Name

N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-3-(methylsulfanyl)propanamide

IUPAC name

N-[3-tert-butyl-1-(25-dichlorophenyl)-1H-pyrazol-5-yl]-3-(methylsulfanyl)propanamide

SMILES

CC(C)(C)c(cc1NC(CCSC)=O)nn1-c(cc(cc1)Cl)c1Cl

InChI

InChI=1S/C17H21Cl2N3OS/c1-17(2,3)14-10-15(20-16(23)7-8-24-4)22(21-14)13-9-11(18)5-6-12(13)19/h5-6,9-10H,7-8H2,1-4H3,(H,20,23)

InChI Key

QMTSRKKXFHYMPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19949864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.956

Distribution Coefficient, logD

4.949

Water Solubility, LogSw

-4.99

Polar Surface Area

37.522

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

V011-8162 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V011-8162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-8162?
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What is the minimum amount of V011-8162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-8162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-8162
  • 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 V011-8162 available by request