C798-1502 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]benzamide

C798-1502 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]benzamide
C798-1502 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1502
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]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

C798-1502

Molecular Formula

C26H23N3O3 (C26 H23 N3 O3)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]benzamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-4-[3-(25-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]benzamide

SMILES

Cc1ccc(C)n1-c1cccnc1-c(cc1)ccc1C(Nc(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C26H23N3O3/c1-17-5-6-18(2)29(17)22-4-3-13-27-25(22)19-7-9-20(10-8-19)26(30)28-21-11-12-23-24(16-21)32-15-14-31-23/h3-13,16H,14-15H2,1-2H3,(H,28,30)

InChI Key

KNGAFBKHANJVFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.197

Distribution Coefficient, logD

3.192

Water Solubility, LogSw

-3.36

Polar Surface Area

51.287

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C798-1502 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 C798-1502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1502?
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What is the minimum amount of C798-1502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1502
  • 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 C798-1502 available by request