C798-1504 Screening compound: N-(4-butylphenyl)-4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]benzamide

C798-1504 Screening compound: N-(4-butylphenyl)-4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]benzamide
C798-1504 Screening compound: N-(4-butylphenyl)-4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1504
N-(4-butylphenyl)-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

C798-1504

Molecular Formula

C28H29N3O (C28 H29 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CCCCc(cc1)ccc1NC(c(cc1)ccc1-c1ncccc1-n1c(C)ccc1C)=O

InChI

InChI=1S/C28H29N3O/c1-4-5-7-22-11-17-25(18-12-22)30-28(32)24-15-13-23(14-16-24)27-26(8-6-19-29-27)31-20(2)9-10-21(31)3/h6,8-19H,4-5,7H2,1-3H3,(H,30,32)

InChI Key

SJDRCEJVSGFSCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.193

Distribution Coefficient, logD

6.190

Water Solubility, LogSw

-5.35

Polar Surface Area

35.464

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C798-1504 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 C798-1504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1504?
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What is the minimum amount of C798-1504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1504
  • 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 C798-1504 available by request