V017-3131 Screening compound: 2-methyl-N-[4-(pyrrolidin-1-yl)-3-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl]benzamide

V017-3131 Screening compound: 2-methyl-N-[4-(pyrrolidin-1-yl)-3-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl]benzamide
V017-3131 Screening compound: 2-methyl-N-[4-(pyrrolidin-1-yl)-3-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-3131
2-methyl-N-[4-(pyrrolidin-1-yl)-3-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl]benzamide

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

V017-3131

Molecular Formula

C28H31N3O3S (C28 H31 N3 O3 S)

Compound Name

2-methyl-N-[4-(pyrrolidin-1-yl)-3-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl]benzamide

IUPAC name

2-methyl-N-[4-(pyrrolidin-1-yl)-3-[(1234-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl]benzamide

SMILES

Cc(cccc1)c1C(Nc(cc1)cc(S(NC(CCC2)c3c2cccc3)(=O)=O)c1N1CCCC1)=O

InChI

InChI=1S/C28H31N3O3S/c1-20-9-2-4-12-23(20)28(32)29-22-15-16-26(31-17-6-7-18-31)27(19-22)35(33,34)30-25-14-8-11-21-10-3-5-13-24(21)25/h2-5,9-10,12-13,15-16,19,25,30H,6-8,11,14,17-18H2,1H3,(H,29,32)/t25-/m0/s1

InChI Key

QCSZCWHDQTWBQV-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19972470

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

489.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.779

Distribution Coefficient, logD

5.755

Water Solubility, LogSw

-5.43

Polar Surface Area

68.663

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

V017-3131 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V017-3131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-3131?
Check Price and Availability of V017-3131, 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 V017-3131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-3131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-3131
  • 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 V017-3131 available by request