3257-1297 Screening compound: 1,3,5-tris[2-(4-nitrophenyl)-2-oxoethyl] benzene-1,3,5-tricarboxylate

3257-1297 Screening compound: 1,3,5-tris[2-(4-nitrophenyl)-2-oxoethyl] benzene-1,3,5-tricarboxylate
3257-1297 Screening compound: 1,3,5-tris[2-(4-nitrophenyl)-2-oxoethyl] benzene-1,3,5-tricarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3257-1297
1,3,5-tris[2-(4-nitrophenyl)-2-oxoethyl] benzene-1,3,5-tricarboxylate

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

3257-1297

Molecular Formula

C33H21N3O15 (C33 H21 N3 O15)

Compound Name

1,3,5-tris[2-(4-nitrophenyl)-2-oxoethyl] benzene-1,3,5-tricarboxylate

IUPAC name

135-tris[2-(4-nitrophenyl)-2-oxoethyl] benzene-135-tricarboxylate

SMILES

[O-][N+](c(cc1)ccc1C(COC(c1cc(C(OCC(c(cc2)ccc2[N+]([O-])=O)=O)=O)cc(C(OCC(c(cc2)ccc2[N+]([O-])=O)=O)=O)c1)=O)=O)=O

InChI

InChI=1S/C33H21N3O15/c37-28(19-1-7-25(8-2-19)34(43)44)16-49-31(40)22-13-23(32(41)50-17-29(38)20-3-9-26(10-4-20)35(45)46)15-24(14-22)33(42)51-18-30(39)21-5-11-27(12-6-21)36(47)48/h1-15H,16-18H2

InChI Key

HOWLQEKQQHTYTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01138523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

699.54

Hydrogen Bond Acceptors Count

27.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

18

Partition Coefficient, logP

4.846

Distribution Coefficient, logD

4.846

Water Solubility, LogSw

-5.11

Polar Surface Area

202.697

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3257-1297 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3257-1297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3257-1297?
Check Price and Availability of 3257-1297, 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 3257-1297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3257-1297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3257-1297
  • 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 3257-1297 available by request