8016-3391 Screening compound: methyl 4-({[4-(1H-pyrrol-1-yl)benzyl]amino}carbonyl)benzoate

8016-3391 Screening compound: methyl 4-({[4-(1H-pyrrol-1-yl)benzyl]amino}carbonyl)benzoate
8016-3391 Screening compound: methyl 4-({[4-(1H-pyrrol-1-yl)benzyl]amino}carbonyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-3391
methyl 4-({[4-(1H-pyrrol-1-yl)benzyl]amino}carbonyl)benzoate

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

8016-3391

Molecular Formula

C20H18N2O3 (C20 H18 N2 O3)

Compound Name

methyl 4-({[4-(1H-pyrrol-1-yl)benzyl]amino}carbonyl)benzoate

IUPAC name

methyl 4-({[4-(1H-pyrrol-1-yl)phenyl]methyl}carbamoyl)benzoate

SMILES

COC(c(cc1)ccc1C(NCc(cc1)ccc1-n1cccc1)=O)=O

InChI

InChI=1S/C20H18N2O3/c1-25-20(24)17-8-6-16(7-9-17)19(23)21-14-15-4-10-18(11-5-15)22-12-2-3-13-22/h2-13H,14H2,1H3,(H,21,23)

InChI Key

SERZPSCPBKWRNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05855554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.591

Distribution Coefficient, logD

3.591

Water Solubility, LogSw

-3.61

Polar Surface Area

49.811

Acid Dissociation Constant (pKa)

12.00

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8016-3391 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8016-3391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-3391?
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What is the minimum amount of 8016-3391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-3391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-3391
  • 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 8016-3391 available by request