8002-4033 Screening compound: 2-[((E)-2-{(E)-2-(benzoylamino)-3-[4-(dimethylamino)phenyl]-2-propenoyl}hydrazono)methyl]-6-bromo-4-nitrophenyl 4-bromobenzoate

8002-4033 Screening compound: 2-[((E)-2-{(E)-2-(benzoylamino)-3-[4-(dimethylamino)phenyl]-2-propenoyl}hydrazono)methyl]-6-bromo-4-nitrophenyl 4-bromobenzoate
8002-4033 Screening compound: 2-[((E)-2-{(E)-2-(benzoylamino)-3-[4-(dimethylamino)phenyl]-2-propenoyl}hydrazono)methyl]-6-bromo-4-nitrophenyl 4-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-4033
2-[((E)-2-{(E)-2-(benzoylamino)-3-[4-(dimethylamino)phenyl]-2-propenoyl}hydrazono)methyl]-6-bromo-4-nitrophenyl 4-bromobenzoate

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

8002-4033

Molecular Formula

C32H25Br2N5O6 (C32 H25 Br2 N5 O6)

Compound Name

2-[((E)-2-{(E)-2-(benzoylamino)-3-[4-(dimethylamino)phenyl]-2-propenoyl}hydrazono)methyl]-6-bromo-4-nitrophenyl 4-bromobenzoate

IUPAC name

2-bromo-6-[(E)-{[(2E)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]-4-nitrophenyl 4-bromobenzoate

SMILES

CN(C)c1ccc(/C=C(\C(N/N=C/c2cc([N+]([O-])=O)cc(Br)c2OC(c(cc2)ccc2Br)=O)=O)/NC(c2ccccc2)=O)cc1

InChI

InChI=1S/C32H25Br2N5O6/c1-38(2)25-14-8-20(9-15-25)16-28(36-30(40)21-6-4-3-5-7-21)31(41)37-35-19-23-17-26(39(43)44)18-27(34)29(23)45-32(42)22-10-12-24(33)13-11-22/h3-19H,1-2H3,(H,36,40)(H,37,41)

InChI Key

WATPKOVJJYARED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00738216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

735.39

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

7.449

Distribution Coefficient, logD

5.575

Water Solubility, LogSw

-5.83

Polar Surface Area

114.216

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

8002-4033 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 8002-4033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-4033?
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What is the minimum amount of 8002-4033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-4033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-4033
  • 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 8002-4033 available by request