3030-4489 Screening compound: N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]-9H-xanthene-9-carbohydrazide

3030-4489 Screening compound: N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]-9H-xanthene-9-carbohydrazide
3030-4489 Screening compound: N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]-9H-xanthene-9-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3030-4489
N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]-9H-xanthene-9-carbohydrazide

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

3030-4489

Molecular Formula

C20H17N3O2 (C20 H17 N3 O2)

Compound Name

N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]-9H-xanthene-9-carbohydrazide

IUPAC name

N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]-9H-xanthene-9-carbohydrazide

SMILES

Cn1c(/C=N/NC(C2c(cccc3)c3Oc3c2cccc3)=O)ccc1

InChI

InChI=1S/C20H17N3O2/c1-23-12-6-7-14(23)13-21-22-20(24)19-15-8-2-4-10-17(15)25-18-11-5-3-9-16(18)19/h2-13,19H,1H3,(H,22,24)

InChI Key

YBBRBQGKPTXAGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02289630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.049

Distribution Coefficient, logD

-1.889

Water Solubility, LogSw

-4.30

Polar Surface Area

45.266

Acid Dissociation Constant (pKa)

-3.33

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

3030-4489 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3030-4489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3030-4489?
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What is the minimum amount of 3030-4489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3030-4489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3030-4489
  • 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 3030-4489 available by request