3796-0556 Screening compound: 2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl 2-[(thiophen-2-yl)formamido]acetate

3796-0556 Screening compound: 2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl 2-[(thiophen-2-yl)formamido]acetate
3796-0556 Screening compound: 2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl 2-[(thiophen-2-yl)formamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3796-0556
2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl 2-[(thiophen-2-yl)formamido]acetate

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

3796-0556

Molecular Formula

C21H16N2O7S (C21 H16 N2 O7 S)

Compound Name

2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl 2-[(thiophen-2-yl)formamido]acetate

IUPAC name

2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl 2-[(thiophen-2-yl)formamido]acetate

SMILES

[O-][N+](c(cc1)ccc1Oc(cc1)ccc1C(COC(CNC(c1cccs1)=O)=O)=O)=O

InChI

InChI=1S/C21H16N2O7S/c24-18(13-29-20(25)12-22-21(26)19-2-1-11-31-19)14-3-7-16(8-4-14)30-17-9-5-15(6-10-17)23(27)28/h1-11H,12-13H2,(H,22,26)

InChI Key

OUWAMHYZWZMSAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02376056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.43

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.670

Distribution Coefficient, logD

3.670

Water Solubility, LogSw

-4.09

Polar Surface Area

99.581

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

3796-0556 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 3796-0556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3796-0556?
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What is the minimum amount of 3796-0556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3796-0556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3796-0556
  • 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 3796-0556 available by request