P076-0538 Screening compound: 1-[(2-METHYLPHENYL)METHYL]-N-[(OXOLAN-2-YL)METHYL]-4-(PYRIDIN-4-YL)-1H-PYRROLE-2-CARBOXAMIDE

P076-0538 Screening compound: 1-[(2-METHYLPHENYL)METHYL]-N-[(OXOLAN-2-YL)METHYL]-4-(PYRIDIN-4-YL)-1H-PYRROLE-2-CARBOXAMIDE
P076-0538 Screening compound: 1-[(2-METHYLPHENYL)METHYL]-N-[(OXOLAN-2-YL)METHYL]-4-(PYRIDIN-4-YL)-1H-PYRROLE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound P076-0538
1-[(2-METHYLPHENYL)METHYL]-N-[(OXOLAN-2-YL)METHYL]-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

P076-0538

Molecular Formula

C23H25N3O2 (C23 H25 N3 O2)

Compound Name

1-[(2-METHYLPHENYL)METHYL]-N-[(OXOLAN-2-YL)METHYL]-4-(PYRIDIN-4-YL)-1H-PYRROLE-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

Cc1c(Cn2c(C(NCC3OCCC3)=O)cc(-c3ccncc3)c2)cccc1

InChI

InChI=1S/C23H25N3O2/c1-17-5-2-3-6-19(17)15-26-16-20(18-8-10-24-11-9-18)13-22(26)23(27)25-14-21-7-4-12-28-21/h2-3,5-6,8-11,13,16,21H,4,7,12,14-15H2,1H3,(H,25,27)/t21-/m1/s1

InChI Key

ZAIFYZLRMUVHCJ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD27562906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.505

Distribution Coefficient, logD

3.500

Water Solubility, LogSw

-3.42

Polar Surface Area

43.945

Acid Dissociation Constant (pKa)

14.46

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

P076-0538 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with P076-0538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P076-0538?
Check Price and Availability of P076-0538, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P076-0538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P076-0538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P076-0538
  • 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 P076-0538 available by request