8019-8478 Screening compound: 2-amino-4-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl cyanide

8019-8478 Screening compound: 2-amino-4-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl cyanide
8019-8478 Screening compound: 2-amino-4-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8478
2-amino-4-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl cyanide

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

8019-8478

Molecular Formula

C19H16ClN3O2 (C19 H16 ClN3 O2)

Compound Name

2-amino-4-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl cyanide

IUPAC name

2-amino-4-(4-chlorophenyl)-1-(24-dimethoxyphenyl)-1H-pyrrole-3-carbonitrile

SMILES

COc(cc1)cc(OC)c1-n(cc1-c(cc2)ccc2Cl)c(N)c1C#N

InChI

InChI=1S/C19H16ClN3O2/c1-24-14-7-8-17(18(9-14)25-2)23-11-16(15(10-21)19(23)22)12-3-5-13(20)6-4-12/h3-9,11H,22H2,1-2H3

InChI Key

LQUOXBOLXCHAEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12033867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.81

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.220

Distribution Coefficient, logD

4.220

Water Solubility, LogSw

-4.99

Polar Surface Area

53.836

Acid Dissociation Constant (pKa)

22.00

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

8019-8478 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-8478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8478?
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What is the minimum amount of 8019-8478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8478
  • 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 8019-8478 available by request