V017-5119 Screening compound: ethyl 4-{2-[1-(4-chlorophenyl)-N-[(pyridin-3-yl)methyl]formamido]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

V017-5119 Screening compound: ethyl 4-{2-[1-(4-chlorophenyl)-N-[(pyridin-3-yl)methyl]formamido]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
V017-5119 Screening compound: ethyl 4-{2-[1-(4-chlorophenyl)-N-[(pyridin-3-yl)methyl]formamido]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-5119
ethyl 4-{2-[1-(4-chlorophenyl)-N-[(pyridin-3-yl)methyl]formamido]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

V017-5119

Molecular Formula

C25H26ClN3O4 (C25 H26 ClN3 O4)

Compound Name

ethyl 4-{2-[1-(4-chlorophenyl)-N-[(pyridin-3-yl)methyl]formamido]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-{2-[1-(4-chlorophenyl)-N-[(pyridin-3-yl)methyl]formamido]acetyl}-135-trimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(C(CN(Cc2cnccc2)C(c(cc2)ccc2Cl)=O)=O)c(C)n1C)=O

InChI

InChI=1S/C25H26ClN3O4/c1-5-33-25(32)23-16(2)22(17(3)28(23)4)21(30)15-29(14-18-7-6-12-27-13-18)24(31)19-8-10-20(26)11-9-19/h6-13H,5,14-15H2,1-4H3

InChI Key

NFFMLBMVZHNFEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14253202

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

467.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.800

Distribution Coefficient, logD

2.800

Water Solubility, LogSw

-3.65

Polar Surface Area

61.505

Acid Dissociation Constant (pKa)

20.23

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with V017-5119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-5119?
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What is the minimum amount of V017-5119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-5119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-5119
  • 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 V017-5119 available by request