V018-4995 Screening compound: N-[4-(pyrrolidin-1-yl)-3-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl]cyclobutanecarboxamide

V018-4995 Screening compound: N-[4-(pyrrolidin-1-yl)-3-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl]cyclobutanecarboxamide
V018-4995 Screening compound: N-[4-(pyrrolidin-1-yl)-3-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl]cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-4995
N-[4-(pyrrolidin-1-yl)-3-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl]cyclobutanecarboxamide

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

V018-4995

Molecular Formula

C25H31N3O3S (C25 H31 N3 O3 S)

Compound Name

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

IUPAC name

N-[4-(pyrrolidin-1-yl)-3-[(1234-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl]cyclobutanecarboxamide

SMILES

O=C(C1CCC1)Nc(cc1)cc(S(NC(CCC2)c3c2cccc3)(=O)=O)c1N1CCCC1

InChI

InChI=1S/C25H31N3O3S/c29-25(19-9-5-10-19)26-20-13-14-23(28-15-3-4-16-28)24(17-20)32(30,31)27-22-12-6-8-18-7-1-2-11-21(18)22/h1-2,7,11,13-14,17,19,22,27H,3-6,8-10,12,15-16H2,(H,26,29)/t22-/m0/s1

InChI Key

CIYAVMCNUJUTTD-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19972483

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

453.61

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

4.193

Distribution Coefficient, logD

4.191

Water Solubility, LogSw

-4.26

Polar Surface Area

69.186

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

V018-4995 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with V018-4995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-4995?
Check Price and Availability of V018-4995, 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 V018-4995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-4995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-4995
  • 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 V018-4995 available by request