V015-5094 Screening compound: 3-{[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl}phenyl 4-methoxy-1-benzenesulfonate

V015-5094 Screening compound: 3-{[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl}phenyl 4-methoxy-1-benzenesulfonate
V015-5094 Screening compound: 3-{[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl}phenyl 4-methoxy-1-benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-5094
3-{[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl}phenyl 4-methoxy-1-benzenesulfonate

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

V015-5094

Molecular Formula

C23H29NO5S (C23 H29 NO5 S)

Compound Name

3-{[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl}phenyl 4-methoxy-1-benzenesulfonate

IUPAC name

3-[(N-cyclopropyl-33-dimethylbutanamido)methyl]phenyl 4-methoxybenzene-1-sulfonate

SMILES

CC(C)(C)CC(N(Cc1cccc(OS(c(cc2)ccc2OC)(=O)=O)c1)C1CC1)=O

InChI

InChI=1S/C23H29NO5S/c1-23(2,3)15-22(25)24(18-8-9-18)16-17-6-5-7-20(14-17)29-30(26,27)21-12-10-19(28-4)11-13-21/h5-7,10-14,18H,8-9,15-16H2,1-4H3

InChI Key

DHEACMVEQASVKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19788125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.776

Distribution Coefficient, logD

4.776

Water Solubility, LogSw

-4.74

Polar Surface Area

58.803

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.48

V015-5094 in Drug Discovery

Included in Screening Libraries

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V015-5094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-5094?
Check Price and Availability of V015-5094, 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 V015-5094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-5094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-5094
  • 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 V015-5094 available by request