4742-2804 Screening compound: 5-[(E)-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)amino]-2-hydroxybenzoic acid

4742-2804 Screening compound: 5-[(E)-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)amino]-2-hydroxybenzoic acid
4742-2804 Screening compound: 5-[(E)-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)amino]-2-hydroxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4742-2804
5-[(E)-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)amino]-2-hydroxybenzoic acid

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

4742-2804

Molecular Formula

C22H23N3O3 (C22 H23 N3 O3)

Compound Name

5-[(E)-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)amino]-2-hydroxybenzoic acid

IUPAC name

5-[(E)-({1-[4-(dimethylamino)phenyl]-25-dimethyl-1H-pyrrol-3-yl}methylidene)amino]-2-hydroxybenzoic acid

SMILES

Cc1cc(/C=N/c(cc2)cc(C(O)=O)c2O)c(C)n1-c(cc1)ccc1N(C)C

InChI

InChI=1S/C22H23N3O3/c1-14-11-16(13-23-17-5-10-21(26)20(12-17)22(27)28)15(2)25(14)19-8-6-18(7-9-19)24(3)4/h5-13,26H,1-4H3,(H,27,28)

InChI Key

MNWCXWOXNFCIJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02941882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.550

Distribution Coefficient, logD

0.721

Water Solubility, LogSw

-4.01

Polar Surface Area

58.792

Acid Dissociation Constant (pKa)

3.57

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

4742-2804 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4742-2804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4742-2804?
Check Price and Availability of 4742-2804, 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 4742-2804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4742-2804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4742-2804
  • 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 4742-2804 available by request