0917-0066 Screening compound: 3-(4-nitrobenzamido)phenyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate

0917-0066 Screening compound: 3-(4-nitrobenzamido)phenyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate
0917-0066 Screening compound: 3-(4-nitrobenzamido)phenyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0917-0066
3-(4-nitrobenzamido)phenyl 2-chloro-5-(morpholine-4-sulfonyl)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

0917-0066

Molecular Formula

C24H20ClN3O8S (C24 H20 ClN3 O8 S)

Compound Name

3-(4-nitrobenzamido)phenyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate

IUPAC name

3-(4-nitrobenzamido)phenyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate

SMILES

[O-][N+](c(cc1)ccc1C(Nc1cccc(OC(c(cc(cc2)S(N3CCOCC3)(=O)=O)c2Cl)=O)c1)=O)=O

InChI

InChI=1S/C24H20ClN3O8S/c25-22-9-8-20(37(33,34)27-10-12-35-13-11-27)15-21(22)24(30)36-19-3-1-2-17(14-19)26-23(29)16-4-6-18(7-5-16)28(31)32/h1-9,14-15H,10-13H2,(H,26,29)

InChI Key

OMIKKWUSMQDUFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00658161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.96

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.160

Distribution Coefficient, logD

4.159

Water Solubility, LogSw

-4.68

Polar Surface Area

116.708

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

0917-0066 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0917-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0917-0066?
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What is the minimum amount of 0917-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0917-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0917-0066
  • 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 0917-0066 available by request