V015-6841 Screening compound: 1-(3,4-dichlorophenyl)-3-(propan-2-yl)-1H-pyrazol-5-yl quinoline-8-sulfonate

V015-6841 Screening compound: 1-(3,4-dichlorophenyl)-3-(propan-2-yl)-1H-pyrazol-5-yl quinoline-8-sulfonate
V015-6841 Screening compound: 1-(3,4-dichlorophenyl)-3-(propan-2-yl)-1H-pyrazol-5-yl quinoline-8-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-6841
1-(3,4-dichlorophenyl)-3-(propan-2-yl)-1H-pyrazol-5-yl quinoline-8-sulfonate

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

V015-6841

Molecular Formula

C21H17Cl2N3O3S (C21 H17 Cl2 N3 O3 S)

Compound Name

1-(3,4-dichlorophenyl)-3-(propan-2-yl)-1H-pyrazol-5-yl quinoline-8-sulfonate

IUPAC name

1-(34-dichlorophenyl)-3-(propan-2-yl)-1H-pyrazol-5-yl quinoline-8-sulfonate

SMILES

CC(C)c(cc1OS(c2cccc3cccnc23)(=O)=O)nn1-c(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C21H17Cl2N3O3S/c1-13(2)18-12-20(26(25-18)15-8-9-16(22)17(23)11-15)29-30(27,28)19-7-3-5-14-6-4-10-24-21(14)19/h3-13H,1-2H3

InChI Key

OVUOKLQORWVQHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19713551

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

462.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.305

Distribution Coefficient, logD

5.305

Water Solubility, LogSw

-6.11

Polar Surface Area

59.028

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

V015-6841 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V015-6841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-6841?
Check Price and Availability of V015-6841, 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 V015-6841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-6841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-6841
  • 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 V015-6841 available by request