P076-1332 Screening compound: N-[(2-bromophenyl)methyl]-1-ethyl-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide

P076-1332 Screening compound: N-[(2-bromophenyl)methyl]-1-ethyl-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide
P076-1332 Screening compound: N-[(2-bromophenyl)methyl]-1-ethyl-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P076-1332
N-[(2-bromophenyl)methyl]-1-ethyl-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

P076-1332

Molecular Formula

C19H18BrN3O (C19 H18 BrN3 O)

Compound Name

N-[(2-bromophenyl)methyl]-1-ethyl-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide

IUPAC name

N-[(2-bromophenyl)methyl]-1-ethyl-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide

SMILES

CCn1c(C(NCc(cccc2)c2Br)=O)cc(-c2ccncc2)c1

InChI

InChI=1S/C19H18BrN3O/c1-2-23-13-16(14-7-9-21-10-8-14)11-18(23)19(24)22-12-15-5-3-4-6-17(15)20/h3-11,13H,2,12H2,1H3,(H,22,24)

InChI Key

JUXDRQWWWRODAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27563024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.819

Distribution Coefficient, logD

3.815

Water Solubility, LogSw

-3.79

Polar Surface Area

35.287

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

P076-1332 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with P076-1332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P076-1332?
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What is the minimum amount of P076-1332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P076-1332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P076-1332
  • 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 P076-1332 available by request