P076-1388 Screening compound: N-[(3,5-difluorophenyl)methyl]-1-propyl-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide

P076-1388 Screening compound: N-[(3,5-difluorophenyl)methyl]-1-propyl-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide
P076-1388 Screening compound: N-[(3,5-difluorophenyl)methyl]-1-propyl-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P076-1388
N-[(3,5-difluorophenyl)methyl]-1-propyl-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide

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

P076-1388

Molecular Formula

C20H19F2N3O (C20 H19 F2 N3 O)

Compound Name

N-[(3,5-difluorophenyl)methyl]-1-propyl-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide

IUPAC name

N-[(35-difluorophenyl)methyl]-1-propyl-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide

SMILES

CCCn1c(C(NCc2cc(F)cc(F)c2)=O)cc(-c2ccncc2)c1

InChI

InChI=1S/C20H19F2N3O/c1-2-7-25-13-16(15-3-5-23-6-4-15)10-19(25)20(26)24-12-14-8-17(21)11-18(22)9-14/h3-6,8-11,13H,2,7,12H2,1H3,(H,24,26)

InChI Key

GJISONXMSANGEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27563058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.993

Distribution Coefficient, logD

3.988

Water Solubility, LogSw

-3.81

Polar Surface Area

35.541

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

P076-1388 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P076-1388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P076-1388?
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What is the minimum amount of P076-1388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P076-1388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P076-1388
  • 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 P076-1388 available by request