V005-4522 Screening compound: ethyl 4-{2-[N-(3-methoxypropyl)4-methoxybenzenesulfonamido]propanoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

V005-4522 Screening compound: ethyl 4-{2-[N-(3-methoxypropyl)4-methoxybenzenesulfonamido]propanoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
V005-4522 Screening compound: ethyl 4-{2-[N-(3-methoxypropyl)4-methoxybenzenesulfonamido]propanoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-4522
ethyl 4-{2-[N-(3-methoxypropyl)4-methoxybenzenesulfonamido]propanoyl}-3,5-dimethyl-1H-pyrrole-2-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

V005-4522

Molecular Formula

C23H32N2O7S (C23 H32 N2 O7 S)

Compound Name

ethyl 4-{2-[N-(3-methoxypropyl)4-methoxybenzenesulfonamido]propanoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-{2-[N-(3-methoxypropyl)4-methoxybenzenesulfonamido]propanoyl}-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(C(C(C)N(CCCOC)S(c(cc2)ccc2OC)(=O)=O)=O)c(C)[nH]1)=O

InChI

InChI=1S/C23H32N2O7S/c1-7-32-23(27)21-15(2)20(16(3)24-21)22(26)17(4)25(13-8-14-30-5)33(28,29)19-11-9-18(31-6)10-12-19/h9-12,17,24H,7-8,13-14H2,1-6H3/t17-/m0/s1

InChI Key

GDFXMARZQYSOFS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14255123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.158

Distribution Coefficient, logD

3.158

Water Solubility, LogSw

-3.48

Polar Surface Area

93.355

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

References: we are preparing a list of scientific research reports with V005-4522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-4522?
Check Price and Availability of V005-4522, 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 V005-4522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-4522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-4522
  • 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 V005-4522 available by request