8005-1331 Screening compound: N-({N'-[(E)-(3-bromo-4,6-dihydroxy-2,5-dimethylphenyl)methylidene]hydrazinecarbonyl}methyl)-3,4,5-trimethoxybenzamide

8005-1331 Screening compound: N-({N'-[(E)-(3-bromo-4,6-dihydroxy-2,5-dimethylphenyl)methylidene]hydrazinecarbonyl}methyl)-3,4,5-trimethoxybenzamide
8005-1331 Screening compound: N-({N'-[(E)-(3-bromo-4,6-dihydroxy-2,5-dimethylphenyl)methylidene]hydrazinecarbonyl}methyl)-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-1331
N-({N'-[(E)-(3-bromo-4,6-dihydroxy-2,5-dimethylphenyl)methylidene]hydrazinecarbonyl}methyl)-3,4,5-trimethoxybenzamide

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

8005-1331

Molecular Formula

C21H24BrN3O7 (C21 H24 BrN3 O7)

Compound Name

N-({N'-[(E)-(3-bromo-4,6-dihydroxy-2,5-dimethylphenyl)methylidene]hydrazinecarbonyl}methyl)-3,4,5-trimethoxybenzamide

IUPAC name

N-({N'-[(E)-(3-bromo-46-dihydroxy-25-dimethylphenyl)methylidene]hydrazinecarbonyl}methyl)-345-trimethoxybenzamide

SMILES

Cc1c(/C=N/NC(CNC(c(cc2OC)cc(OC)c2OC)=O)=O)c(O)c(C)c(O)c1Br

InChI

InChI=1S/C21H24BrN3O7/c1-10-13(18(27)11(2)19(28)17(10)22)8-24-25-16(26)9-23-21(29)12-6-14(30-3)20(32-5)15(7-12)31-4/h6-8,27-28H,9H2,1-5H3,(H,23,29)(H,25,26)

InChI Key

FFKPCEMWMOTQDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00741074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.768

Distribution Coefficient, logD

3.764

Water Solubility, LogSw

-4.02

Polar Surface Area

113.962

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8005-1331 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 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 8005-1331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-1331?
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What is the minimum amount of 8005-1331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-1331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-1331
  • 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 8005-1331 available by request