V005-4752 Screening compound: ethyl 4-{2-[1-(4-chlorophenyl)-N-[2-(pyridin-2-yl)ethyl]formamido]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

V005-4752 Screening compound: ethyl 4-{2-[1-(4-chlorophenyl)-N-[2-(pyridin-2-yl)ethyl]formamido]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
V005-4752 Screening compound: ethyl 4-{2-[1-(4-chlorophenyl)-N-[2-(pyridin-2-yl)ethyl]formamido]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-4752
ethyl 4-{2-[1-(4-chlorophenyl)-N-[2-(pyridin-2-yl)ethyl]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

V005-4752

Molecular Formula

C26H28ClN3O4 (C26 H28 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)c(C(CN(CCc2ncccc2)C(c(cc2)ccc2Cl)=O)=O)c(C)n1C)=O

InChI

InChI=1S/C26H28ClN3O4/c1-5-34-26(33)24-17(2)23(18(3)29(24)4)22(31)16-30(15-13-21-8-6-7-14-28-21)25(32)19-9-11-20(27)12-10-19/h6-12,14H,5,13,15-16H2,1-4H3

InChI Key

WNYLGGVXBDUDNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14253185

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

481.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.349

Distribution Coefficient, logD

3.349

Water Solubility, LogSw

-4.11

Polar Surface Area

61.508

Acid Dissociation Constant (pKa)

19.81

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V005-4752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-4752?
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What is the minimum amount of V005-4752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-4752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-4752
  • 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 V005-4752 available by request