V013-9990 Screening compound: ethyl 1-{4-pentanamido-2-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl}piperidine-4-carboxylate

V013-9990 Screening compound: ethyl 1-{4-pentanamido-2-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl}piperidine-4-carboxylate
V013-9990 Screening compound: ethyl 1-{4-pentanamido-2-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-9990
ethyl 1-{4-pentanamido-2-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl}piperidine-4-carboxylate

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

V013-9990

Molecular Formula

C29H39N3O5S (C29 H39 N3 O5 S)

Compound Name

ethyl 1-{4-pentanamido-2-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{4-pentanamido-2-[(1234-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl}piperidine-4-carboxylate

SMILES

CCCCC(Nc(cc1)cc(S(NC(CCC2)c3c2cccc3)(=O)=O)c1N(CC1)CCC1C(OCC)=O)=O

InChI

InChI=1S/C29H39N3O5S/c1-3-5-13-28(33)30-23-14-15-26(32-18-16-22(17-19-32)29(34)37-4-2)27(20-23)38(35,36)31-25-12-8-10-21-9-6-7-11-24(21)25/h6-7,9,11,14-15,20,22,25,31H,3-5,8,10,12-13,16-19H2,1-2H3,(H,30,33)/t25-/m0/s1

InChI Key

QFTVGHKMNGPBEV-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19972650

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

541.71

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.516

Distribution Coefficient, logD

5.514

Water Solubility, LogSw

-5.25

Polar Surface Area

89.109

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.70

V013-9990 in Drug Discovery

Included in Screening Libraries

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 V013-9990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9990?
Check Price and Availability of V013-9990, 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 V013-9990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9990
  • 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 V013-9990 available by request