3260-0490 Screening compound: (1Z)-2-{1-[(3,4-dichlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-phenylethenyl benzoate

3260-0490 Screening compound: (1Z)-2-{1-[(3,4-dichlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-phenylethenyl benzoate
3260-0490 Screening compound: (1Z)-2-{1-[(3,4-dichlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-phenylethenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3260-0490
(1Z)-2-{1-[(3,4-dichlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-phenylethenyl benzoate

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

3260-0490

Molecular Formula

C29H20Cl2N2O2 (C29 H20 Cl2 N2 O2)

Compound Name

(1Z)-2-{1-[(3,4-dichlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-phenylethenyl benzoate

IUPAC name

(1Z)-2-{1-[(34-dichlorophenyl)methyl]-1H-13-benzodiazol-2-yl}-1-phenylethenyl benzoate

SMILES

O=C(c1ccccc1)O/C(/c1ccccc1)=C\c1nc(cccc2)c2n1Cc(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C29H20Cl2N2O2/c30-23-16-15-20(17-24(23)31)19-33-26-14-8-7-13-25(26)32-28(33)18-27(21-9-3-1-4-10-21)35-29(34)22-11-5-2-6-12-22/h1-18H,19H2

InChI Key

XBCHGXVUMFHZRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01958089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.185

Distribution Coefficient, logD

8.185

Water Solubility, LogSw

-6.75

Polar Surface Area

30.560

Acid Dissociation Constant (pKa)

20.94

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.40

3260-0490 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 3260-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3260-0490?
Check Price and Availability of 3260-0490, 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 3260-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3260-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3260-0490
  • 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 3260-0490 available by request