V004-9722 Screening compound: methyl 4-{2-[N-(3-ethoxypropyl)benzenesulfonamido]propanoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

V004-9722 Screening compound: methyl 4-{2-[N-(3-ethoxypropyl)benzenesulfonamido]propanoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
V004-9722 Screening compound: methyl 4-{2-[N-(3-ethoxypropyl)benzenesulfonamido]propanoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9722
methyl 4-{2-[N-(3-ethoxypropyl)benzenesulfonamido]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

V004-9722

Molecular Formula

C22H30N2O6S (C22 H30 N2 O6 S)

Compound Name

methyl 4-{2-[N-(3-ethoxypropyl)benzenesulfonamido]propanoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

methyl 4-{2-[N-(3-ethoxypropyl)benzenesulfonamido]propanoyl}-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOCCCN(C(C)C(c1c(C)[nH]c(C(OC)=O)c1C)=O)S(c1ccccc1)(=O)=O

InChI

InChI=1S/C22H30N2O6S/c1-6-30-14-10-13-24(31(27,28)18-11-8-7-9-12-18)17(4)21(25)19-15(2)20(22(26)29-5)23-16(19)3/h7-9,11-12,17,23H,6,10,13-14H2,1-5H3/t17-/m0/s1

InChI Key

KHMDHEXCWGXEPG-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14255389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.935

Distribution Coefficient, logD

2.935

Water Solubility, LogSw

-3.38

Polar Surface Area

85.866

Acid Dissociation Constant (pKa)

5.86

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with V004-9722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9722?
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What is the minimum amount of V004-9722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9722
  • 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 V004-9722 available by request