V007-4397 Screening compound: 5-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-2-methoxyphenyl ethane-1-sulfonate

V007-4397 Screening compound: 5-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-2-methoxyphenyl ethane-1-sulfonate
V007-4397 Screening compound: 5-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-2-methoxyphenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-4397
5-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-2-methoxyphenyl ethane-1-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

V007-4397

Molecular Formula

C19H29NO5S (C19 H29 NO5 S)

Compound Name

5-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-2-methoxyphenyl ethane-1-sulfonate

IUPAC name

5-[(N-cyclopropyl-33-dimethylbutanamido)methyl]-2-methoxyphenyl ethane-1-sulfonate

SMILES

CCS(Oc(cc(CN(C1CC1)C(CC(C)(C)C)=O)cc1)c1OC)(=O)=O

InChI

InChI=1S/C19H29NO5S/c1-6-26(22,23)25-17-11-14(7-10-16(17)24-5)13-20(15-8-9-15)18(21)12-19(2,3)4/h7,10-11,15H,6,8-9,12-13H2,1-5H3

InChI Key

SJQHZFBXNRRKRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19787777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.51

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

3.231

Distribution Coefficient, logD

3.231

Water Solubility, LogSw

-3.42

Polar Surface Area

58.323

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

V007-4397 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 V007-4397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-4397?
Check Price and Availability of V007-4397, 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 V007-4397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-4397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-4397
  • 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 V007-4397 available by request