C798-1501 Screening compound: 4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]-N-(4-phenoxyphenyl)benzamide

C798-1501 Screening compound: 4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]-N-(4-phenoxyphenyl)benzamide
C798-1501 Screening compound: 4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]-N-(4-phenoxyphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1501
4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]-N-(4-phenoxyphenyl)benzamide

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

C798-1501

Molecular Formula

C30H25N3O2 (C30 H25 N3 O2)

Compound Name

4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]-N-(4-phenoxyphenyl)benzamide

IUPAC name

4-[3-(25-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]-N-(4-phenoxyphenyl)benzamide

SMILES

Cc1ccc(C)n1-c1cccnc1-c(cc1)ccc1C(Nc(cc1)ccc1Oc1ccccc1)=O

InChI

InChI=1S/C30H25N3O2/c1-21-10-11-22(2)33(21)28-9-6-20-31-29(28)23-12-14-24(15-13-23)30(34)32-25-16-18-27(19-17-25)35-26-7-4-3-5-8-26/h3-20H,1-2H3,(H,32,34)

InChI Key

FXAPMHMVLIZKTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.55

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

5.914

Distribution Coefficient, logD

5.911

Water Solubility, LogSw

-5.58

Polar Surface Area

42.212

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

C798-1501 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 C798-1501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1501?
Check Price and Availability of C798-1501, 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 C798-1501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1501
  • 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 C798-1501 available by request