V009-3178 Screening compound: methyl 4-(2-{N-[(furan-2-yl)methyl]benzenesulfonamido}acetyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

V009-3178 Screening compound: methyl 4-(2-{N-[(furan-2-yl)methyl]benzenesulfonamido}acetyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
V009-3178 Screening compound: methyl 4-(2-{N-[(furan-2-yl)methyl]benzenesulfonamido}acetyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-3178
methyl 4-(2-{N-[(furan-2-yl)methyl]benzenesulfonamido}acetyl)-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

V009-3178

Molecular Formula

C21H22N2O6S (C21 H22 N2 O6 S)

Compound Name

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

IUPAC name

methyl 4-(2-{N-[(furan-2-yl)methyl]benzenesulfonamido}acetyl)-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

Cc1c(C(OC)=O)[nH]c(C)c1C(CN(Cc1ccco1)S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C21H22N2O6S/c1-14-19(15(2)22-20(14)21(25)28-3)18(24)13-23(12-16-8-7-11-29-16)30(26,27)17-9-5-4-6-10-17/h4-11,22H,12-13H2,1-3H3

InChI Key

JCQAESPTTXTYDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14253659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.961

Distribution Coefficient, logD

2.961

Water Solubility, LogSw

-3.44

Polar Surface Area

84.493

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with V009-3178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-3178?
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What is the minimum amount of V009-3178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-3178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-3178
  • 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 V009-3178 available by request