8006-5336 Screening compound: 4-[(E)-{[(2Z)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]phenyl 3,4,5-trimethoxybenzoate

8006-5336 Screening compound: 4-[(E)-{[(2Z)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]phenyl 3,4,5-trimethoxybenzoate
8006-5336 Screening compound: 4-[(E)-{[(2Z)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]phenyl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5336
4-[(E)-{[(2Z)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]phenyl 3,4,5-trimethoxybenzoate

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

8006-5336

Molecular Formula

C35H34N4O7 (C35 H34 N4 O7)

Compound Name

4-[(E)-{[(2Z)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]phenyl 3,4,5-trimethoxybenzoate

IUPAC name

4-[(E)-{[(2Z)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]phenyl 345-trimethoxybenzoate

SMILES

CN(C)c1ccc(/C=C(/C(N/N=C/c(cc2)ccc2OC(c(cc2OC)cc(OC)c2OC)=O)=O)\NC(c2ccccc2)=O)cc1

InChI

InChI=1S/C35H34N4O7/c1-39(2)27-15-11-23(12-16-27)19-29(37-33(40)25-9-7-6-8-10-25)34(41)38-36-22-24-13-17-28(18-14-24)46-35(42)26-20-30(43-3)32(45-5)31(21-26)44-4/h6-22H,1-5H3,(H,37,40)(H,38,41)

InChI Key

OPTRLAXHNJVPBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00303044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

622.68

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.713

Distribution Coefficient, logD

2.839

Water Solubility, LogSw

-4.55

Polar Surface Area

103.639

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8006-5336 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 8006-5336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5336?
Check Price and Availability of 8006-5336, 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 8006-5336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5336
  • 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 8006-5336 available by request