0400-0024 Screening compound: 4-(3-{N'-[(E)-(6-fluoro-4-oxo-4H-chromen-3-yl)methylidene]hydrazinecarbonyl}propanamido)benzoic acid

0400-0024 Screening compound: 4-(3-{N'-[(E)-(6-fluoro-4-oxo-4H-chromen-3-yl)methylidene]hydrazinecarbonyl}propanamido)benzoic acid
0400-0024 Screening compound: 4-(3-{N'-[(E)-(6-fluoro-4-oxo-4H-chromen-3-yl)methylidene]hydrazinecarbonyl}propanamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0400-0024
4-(3-{N'-[(E)-(6-fluoro-4-oxo-4H-chromen-3-yl)methylidene]hydrazinecarbonyl}propanamido)benzoic 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

0400-0024

Molecular Formula

C21H16FN3O6 (C21 H16 FN3 O6)

Compound Name

4-(3-{N'-[(E)-(6-fluoro-4-oxo-4H-chromen-3-yl)methylidene]hydrazinecarbonyl}propanamido)benzoic acid

IUPAC name

4-(3-{N'-[(E)-(6-fluoro-4-oxo-4H-chromen-3-yl)methylidene]hydrazinecarbonyl}propanamido)benzoic acid

SMILES

OC(c(cc1)ccc1NC(CCC(N/N=C/C1=COc(ccc(F)c2)c2C1=O)=O)=O)=O

InChI

InChI=1S/C21H16FN3O6/c22-14-3-6-17-16(9-14)20(28)13(11-31-17)10-23-25-19(27)8-7-18(26)24-15-4-1-12(2-5-15)21(29)30/h1-6,9-11H,7-8H2,(H,24,26)(H,25,27)(H,29,30)

InChI Key

QWQRRKRHWJYWQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00985907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.37

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.224

Distribution Coefficient, logD

-0.171

Water Solubility, LogSw

-3.11

Polar Surface Area

107.791

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

0400-0024 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0400-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0400-0024?
Check Price and Availability of 0400-0024, 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 0400-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0400-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0400-0024
  • 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 0400-0024 available by request