8005-0929 Screening compound: N-[(1Z)-1-{N'-[(E)-(3,5-dibromo-2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide

8005-0929 Screening compound: N-[(1Z)-1-{N'-[(E)-(3,5-dibromo-2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide
8005-0929 Screening compound: N-[(1Z)-1-{N'-[(E)-(3,5-dibromo-2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-0929
N-[(1Z)-1-{N'-[(E)-(3,5-dibromo-2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide

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

8005-0929

Molecular Formula

C22H17Br2N3O4S (C22 H17 Br2 N3 O4 S)

Compound Name

N-[(1Z)-1-{N'-[(E)-(3,5-dibromo-2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide

IUPAC name

N-[(1Z)-1-{N'-[(E)-(35-dibromo-24-dihydroxy-6-methylphenyl)methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide

SMILES

Cc(c(/C=N/NC(/C(/NC(c1ccccc1)=O)=C/c1cccs1)=O)c(c(Br)c1O)O)c1Br

InChI

InChI=1S/C22H17Br2N3O4S/c1-12-15(19(28)18(24)20(29)17(12)23)11-25-27-22(31)16(10-14-8-5-9-32-14)26-21(30)13-6-3-2-4-7-13/h2-11,28-29H,1H3,(H,26,30)(H,27,31)

InChI Key

YCOPFBXTBBNTBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00747364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.606

Distribution Coefficient, logD

3.689

Water Solubility, LogSw

-5.43

Polar Surface Area

89.455

Acid Dissociation Constant (pKa)

5.49

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

8005-0929 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8005-0929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-0929?
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What is the minimum amount of 8005-0929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-0929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-0929
  • 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 8005-0929 available by request