V010-4565 Screening compound: ethyl 4-(2-{N-[(4-fluorophenyl)methyl]4-methylbenzenesulfonamido}acetyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

V010-4565 Screening compound: ethyl 4-(2-{N-[(4-fluorophenyl)methyl]4-methylbenzenesulfonamido}acetyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
V010-4565 Screening compound: ethyl 4-(2-{N-[(4-fluorophenyl)methyl]4-methylbenzenesulfonamido}acetyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-4565
ethyl 4-(2-{N-[(4-fluorophenyl)methyl]4-methylbenzenesulfonamido}acetyl)-1,3,5-trimethyl-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

V010-4565

Molecular Formula

C26H29FN2O5S (C26 H29 FN2 O5 S)

Compound Name

ethyl 4-(2-{N-[(4-fluorophenyl)methyl]4-methylbenzenesulfonamido}acetyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-(2-{N-[(4-fluorophenyl)methyl]4-methylbenzenesulfonamido}acetyl)-135-trimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(C(CN(Cc(cc2)ccc2F)S(c2ccc(C)cc2)(=O)=O)=O)c(C)n1C)=O

InChI

InChI=1S/C26H29FN2O5S/c1-6-34-26(31)25-18(3)24(19(4)28(25)5)23(30)16-29(15-20-9-11-21(27)12-10-20)35(32,33)22-13-7-17(2)8-14-22/h7-14H,6,15-16H2,1-5H3

InChI Key

QGXQGGDNQVQEHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14252898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.389

Distribution Coefficient, logD

4.389

Water Solubility, LogSw

-4.40

Polar Surface Area

67.151

Acid Dissociation Constant (pKa)

18.42

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V010-4565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-4565?
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What is the minimum amount of V010-4565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-4565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-4565
  • 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 V010-4565 available by request