8016-9773 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 4-(morpholinosulfonyl)benzoate

8016-9773 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 4-(morpholinosulfonyl)benzoate
8016-9773 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 4-(morpholinosulfonyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9773
2-(4-nitrophenyl)-2-oxoethyl 4-(morpholinosulfonyl)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

8016-9773

Molecular Formula

C19H18N2O8S (C19 H18 N2 O8 S)

Compound Name

2-(4-nitrophenyl)-2-oxoethyl 4-(morpholinosulfonyl)benzoate

IUPAC name

2-(4-nitrophenyl)-2-oxoethyl 4-(morpholine-4-sulfonyl)benzoate

SMILES

[O-][N+](c(cc1)ccc1C(COC(c(cc1)ccc1S(N1CCOCC1)(=O)=O)=O)=O)=O

InChI

InChI=1S/C19H18N2O8S/c22-18(14-1-5-16(6-2-14)21(24)25)13-29-19(23)15-3-7-17(8-4-15)30(26,27)20-9-11-28-12-10-20/h1-8H,9-13H2

InChI Key

GSOUJHSMHSBBFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.43

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.312

Distribution Coefficient, logD

2.312

Water Solubility, LogSw

-2.63

Polar Surface Area

107.344

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

-6.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

8016-9773 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 8016-9773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9773?
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What is the minimum amount of 8016-9773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9773
  • 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 8016-9773 available by request