8005-7721 Screening compound: N-[(1E)-1-{N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]hydrazinecarbonyl}-2-[4-(diethylamino)phenyl]eth-1-en-1-yl]benzamide

8005-7721 Screening compound: N-[(1E)-1-{N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]hydrazinecarbonyl}-2-[4-(diethylamino)phenyl]eth-1-en-1-yl]benzamide
8005-7721 Screening compound: N-[(1E)-1-{N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]hydrazinecarbonyl}-2-[4-(diethylamino)phenyl]eth-1-en-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7721
N-[(1E)-1-{N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]hydrazinecarbonyl}-2-[4-(diethylamino)phenyl]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

8005-7721

Molecular Formula

C29H31BrN4O4 (C29 H31 BrN4 O4)

Compound Name

N-[(1E)-1-{N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]hydrazinecarbonyl}-2-[4-(diethylamino)phenyl]eth-1-en-1-yl]benzamide

IUPAC name

N-[(1E)-1-{N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]hydrazinecarbonyl}-2-[4-(diethylamino)phenyl]eth-1-en-1-yl]benzamide

SMILES

CCN(CC)c1ccc(/C=C(\C(N/N=C/c(cc2OCC)cc(Br)c2O)=O)/NC(c2ccccc2)=O)cc1

InChI

InChI=1S/C29H31BrN4O4/c1-4-34(5-2)23-14-12-20(13-15-23)17-25(32-28(36)22-10-8-7-9-11-22)29(37)33-31-19-21-16-24(30)27(35)26(18-21)38-6-3/h7-19,35H,4-6H2,1-3H3,(H,32,36)(H,33,37)

InChI Key

HTICVFYBVOHKGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00822231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.696

Distribution Coefficient, logD

3.822

Water Solubility, LogSw

-5.31

Polar Surface Area

82.904

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

8005-7721 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8005-7721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7721?
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What is the minimum amount of 8005-7721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7721
  • 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 8005-7721 available by request