F347-0714 Screening compound: ethyl 5-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-chlorophenyl)formamido}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

F347-0714 Screening compound: ethyl 5-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-chlorophenyl)formamido}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
F347-0714 Screening compound: ethyl 5-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-chlorophenyl)formamido}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F347-0714
ethyl 5-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-chlorophenyl)formamido}methyl)-2,4-dimethyl-1H-pyrrole-3-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

F347-0714

Molecular Formula

C25H25ClN2O5 (C25 H25 ClN2 O5)

Compound Name

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

IUPAC name

ethyl 5-({N-[(2H-13-benzodioxol-5-yl)methyl]-1-(4-chlorophenyl)formamido}methyl)-24-dimethyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(CN(Cc(cc2)cc3c2OCO3)C(c(cc2)ccc2Cl)=O)c1C)=O

InChI

InChI=1S/C25H25ClN2O5/c1-4-31-25(30)23-15(2)20(27-16(23)3)13-28(24(29)18-6-8-19(26)9-7-18)12-17-5-10-21-22(11-17)33-14-32-21/h5-11,27H,4,12-14H2,1-3H3

InChI Key

VMTIAKDDHVCRLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14951447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.427

Distribution Coefficient, logD

4.427

Water Solubility, LogSw

-4.84

Polar Surface Area

65.524

Acid Dissociation Constant (pKa)

16.72

Base Dissociation Constant (pKb)

-4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

F347-0714 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F347-0714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F347-0714?
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What is the minimum amount of F347-0714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F347-0714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F347-0714
  • 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 F347-0714 available by request