3514-0030 Screening compound: 4-chloro-N-{2-[3-(4-chlorobenzamido)phenyl]-1,3-benzoxazol-6-yl}benzamide

3514-0030 Screening compound: 4-chloro-N-{2-[3-(4-chlorobenzamido)phenyl]-1,3-benzoxazol-6-yl}benzamide
3514-0030 Screening compound: 4-chloro-N-{2-[3-(4-chlorobenzamido)phenyl]-1,3-benzoxazol-6-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3514-0030
4-chloro-N-{2-[3-(4-chlorobenzamido)phenyl]-1,3-benzoxazol-6-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

3514-0030

Molecular Formula

C27H17Cl2N3O3 (C27 H17 Cl2 N3 O3)

Compound Name

4-chloro-N-{2-[3-(4-chlorobenzamido)phenyl]-1,3-benzoxazol-6-yl}benzamide

IUPAC name

4-chloro-N-{2-[3-(4-chlorobenzamido)phenyl]-13-benzoxazol-6-yl}benzamide

SMILES

O=C(c(cc1)ccc1Cl)Nc(cc1)cc2c1nc(-c1cccc(NC(c(cc3)ccc3Cl)=O)c1)o2

InChI

InChI=1S/C27H17Cl2N3O3/c28-19-8-4-16(5-9-19)25(33)30-21-3-1-2-18(14-21)27-32-23-13-12-22(15-24(23)35-27)31-26(34)17-6-10-20(29)11-7-17/h1-15H,(H,30,33)(H,31,34)

InChI Key

SGTAMHXYNQNWNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04231604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.815

Distribution Coefficient, logD

6.808

Water Solubility, LogSw

-6.76

Polar Surface Area

63.231

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3514-0030 in Drug Discovery

Included in Screening Libraries

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 3514-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3514-0030?
Check Price and Availability of 3514-0030, 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 3514-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3514-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3514-0030
  • 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 3514-0030 available by request