3257-3421 Screening compound: 2-(3,4-dimethylphenyl)-2-oxoethyl 3-(2-chloro-6-nitrophenoxy)benzoate

3257-3421 Screening compound: 2-(3,4-dimethylphenyl)-2-oxoethyl 3-(2-chloro-6-nitrophenoxy)benzoate
3257-3421 Screening compound: 2-(3,4-dimethylphenyl)-2-oxoethyl 3-(2-chloro-6-nitrophenoxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3257-3421
2-(3,4-dimethylphenyl)-2-oxoethyl 3-(2-chloro-6-nitrophenoxy)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

3257-3421

Molecular Formula

C23H18ClNO6 (C23 H18 ClNO6)

Compound Name

2-(3,4-dimethylphenyl)-2-oxoethyl 3-(2-chloro-6-nitrophenoxy)benzoate

IUPAC name

2-(34-dimethylphenyl)-2-oxoethyl 3-(2-chloro-6-nitrophenoxy)benzoate

SMILES

Cc(cc1)c(C)cc1C(COC(c1cccc(Oc(c([N+]([O-])=O)ccc2)c2Cl)c1)=O)=O

InChI

InChI=1S/C23H18ClNO6/c1-14-9-10-16(11-15(14)2)21(26)13-30-23(27)17-5-3-6-18(12-17)31-22-19(24)7-4-8-20(22)25(28)29/h3-12H,13H2,1-2H3

InChI Key

HOISGJZJPAAUHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02040917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.85

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.244

Distribution Coefficient, logD

6.244

Water Solubility, LogSw

-6.22

Polar Surface Area

74.345

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

3257-3421 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3257-3421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3257-3421?
Check Price and Availability of 3257-3421, 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 3257-3421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3257-3421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3257-3421
  • 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 3257-3421 available by request