8001-8515 Screening compound: N-[(1E)-1-{N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinecarbonyl}-2-[4-(diethylamino)phenyl]eth-1-en-1-yl]benzamide

8001-8515 Screening compound: N-[(1E)-1-{N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinecarbonyl}-2-[4-(diethylamino)phenyl]eth-1-en-1-yl]benzamide
8001-8515 Screening compound: N-[(1E)-1-{N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinecarbonyl}-2-[4-(diethylamino)phenyl]eth-1-en-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-8515
N-[(1E)-1-{N'-[(E)-(3,5-dibromo-2-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

8001-8515

Molecular Formula

C27H26Br2N4O3 (C27 H26 Br2 N4 O3)

Compound Name

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

IUPAC name

N-[(1E)-1-{N'-[(E)-(35-dibromo-2-hydroxyphenyl)methylidene]hydrazinecarbonyl}-2-[4-(diethylamino)phenyl]eth-1-en-1-yl]benzamide

SMILES

CCN(CC)c1ccc(/C=C(\C(N/N=C/c2cc(Br)cc(Br)c2O)=O)/NC(c2ccccc2)=O)cc1

InChI

InChI=1S/C27H26Br2N4O3/c1-3-33(4-2)22-12-10-18(11-13-22)14-24(31-26(35)19-8-6-5-7-9-19)27(36)32-30-17-20-15-21(28)16-23(29)25(20)34/h5-17,34H,3-4H2,1-2H3,(H,31,35)(H,32,36)

InChI Key

XASWKCZDOYGMIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00471145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

614.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.479

Distribution Coefficient, logD

4.605

Water Solubility, LogSw

-5.51

Polar Surface Area

75.694

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

8001-8515 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 8001-8515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-8515?
Check Price and Availability of 8001-8515, 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 8001-8515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-8515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-8515
  • 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 8001-8515 available by request