4813-3107 Screening compound: 3-[(E)-2-(2,4-dihydroxybenzoyl)hydrazono]-N~1~-(2-methoxydibenzo[b,d]furan-3-yl)butanamide

4813-3107 Screening compound: 3-[(E)-2-(2,4-dihydroxybenzoyl)hydrazono]-N~1~-(2-methoxydibenzo[b,d]furan-3-yl)butanamide
4813-3107 Screening compound: 3-[(E)-2-(2,4-dihydroxybenzoyl)hydrazono]-N~1~-(2-methoxydibenzo[b,d]furan-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4813-3107
3-[(E)-2-(2,4-dihydroxybenzoyl)hydrazono]-N~1~-(2-methoxydibenzo[b,d]furan-3-yl)butanamide

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

4813-3107

Molecular Formula

C24H21N3O6 (C24 H21 N3 O6)

Compound Name

3-[(E)-2-(2,4-dihydroxybenzoyl)hydrazono]-N~1~-(2-methoxydibenzo[b,d]furan-3-yl)butanamide

IUPAC name

(3E)-3-{[(24-dihydroxyphenyl)formamido]imino}-N-{4-methoxy-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2461012-hexaen-5-yl}butanamide

SMILES

C/C(/CC(Nc(cc1oc(cccc2)c2c1c1)c1OC)=O)=N\NC(c(ccc(O)c1)c1O)=O

InChI

InChI=1S/C24H21N3O6/c1-13(26-27-24(31)16-8-7-14(28)10-19(16)29)9-23(30)25-18-12-21-17(11-22(18)32-2)15-5-3-4-6-20(15)33-21/h3-8,10-12,28-29H,9H2,1-2H3,(H,25,30)(H,27,31)

InChI Key

GXKWYGJHOFZZEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00315017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.705

Distribution Coefficient, logD

3.661

Water Solubility, LogSw

-3.79

Polar Surface Area

107.085

Acid Dissociation Constant (pKa)

8.36

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4813-3107 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 4813-3107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4813-3107?
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What is the minimum amount of 4813-3107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4813-3107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4813-3107
  • 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 4813-3107 available by request