8006-2304 Screening compound: 4-[(E)-{[(2E)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]-2-methoxyphenyl 2-chlorobenzoate

8006-2304 Screening compound: 4-[(E)-{[(2E)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]-2-methoxyphenyl 2-chlorobenzoate
8006-2304 Screening compound: 4-[(E)-{[(2E)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]-2-methoxyphenyl 2-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2304
4-[(E)-{[(2E)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]-2-methoxyphenyl 2-chlorobenzoate

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

8006-2304

Molecular Formula

C33H29ClN4O5 (C33 H29 ClN4 O5)

Compound Name

4-[(E)-{[(2E)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]-2-methoxyphenyl 2-chlorobenzoate

IUPAC name

4-[(E)-{[(2E)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]-2-methoxyphenyl 2-chlorobenzoate

SMILES

CN(C)c1ccc(/C=C(\C(N/N=C/c(cc2)cc(OC)c2OC(c(cccc2)c2Cl)=O)=O)/NC(c2ccccc2)=O)cc1

InChI

InChI=1S/C33H29ClN4O5/c1-38(2)25-16-13-22(14-17-25)19-28(36-31(39)24-9-5-4-6-10-24)32(40)37-35-21-23-15-18-29(30(20-23)42-3)43-33(41)26-11-7-8-12-27(26)34/h4-21H,1-3H3,(H,36,39)(H,37,40)

InChI Key

MBEHCKMOBZLHRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

597.07

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.144

Distribution Coefficient, logD

4.270

Water Solubility, LogSw

-5.95

Polar Surface Area

88.378

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8006-2304 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8006-2304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2304?
Check Price and Availability of 8006-2304, 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 8006-2304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2304
  • 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 8006-2304 available by request