V008-4841 Screening compound: ethyl 3-[(3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl)carbamoyl]propanoate

V008-4841 Screening compound: ethyl 3-[(3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl)carbamoyl]propanoate
V008-4841 Screening compound: ethyl 3-[(3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl)carbamoyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4841
ethyl 3-[(3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl)carbamoyl]propanoate

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

V008-4841

Molecular Formula

C26H35N3O7S (C26 H35 N3 O7 S)

Compound Name

ethyl 3-[(3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl)carbamoyl]propanoate

IUPAC name

ethyl 3-[(3-{[2-(34-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl)carbamoyl]propanoate

SMILES

CCOC(CCC(Nc(cc1)cc(S(NCCc(cc2)cc(OC)c2OC)(=O)=O)c1N1CCCC1)=O)=O

InChI

InChI=1S/C26H35N3O7S/c1-4-36-26(31)12-11-25(30)28-20-8-9-21(29-15-5-6-16-29)24(18-20)37(32,33)27-14-13-19-7-10-22(34-2)23(17-19)35-3/h7-10,17-18,27H,4-6,11-16H2,1-3H3,(H,28,30)

InChI Key

XHYKHIUEQMTYQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19972449

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

533.65

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.120

Distribution Coefficient, logD

3.119

Water Solubility, LogSw

-3.64

Polar Surface Area

103.925

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

V008-4841 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 V008-4841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4841?
Check Price and Availability of V008-4841, 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 V008-4841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4841
  • 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 V008-4841 available by request