0987-0129 Screening compound: 2'-(3-nitrobenzoyloxy)-[1,1'-binaphthalen]-2-yl 3-nitrobenzoate

0987-0129 Screening compound: 2'-(3-nitrobenzoyloxy)-[1,1'-binaphthalen]-2-yl 3-nitrobenzoate
0987-0129 Screening compound: 2'-(3-nitrobenzoyloxy)-[1,1'-binaphthalen]-2-yl 3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0987-0129
2'-(3-nitrobenzoyloxy)-[1,1'-binaphthalen]-2-yl 3-nitrobenzoate

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

0987-0129

Molecular Formula

C34H20N2O8 (C34 H20 N2 O8)

Compound Name

2'-(3-nitrobenzoyloxy)-[1,1'-binaphthalen]-2-yl 3-nitrobenzoate

IUPAC name

2'-(3-nitrobenzoyloxy)-[11'-binaphthalen]-2-yl 3-nitrobenzoate

SMILES

[O-][N+](c1cccc(C(Oc(ccc2ccccc22)c2-c(c2ccccc2cc2)c2OC(c2cccc([N+]([O-])=O)c2)=O)=O)c1)=O

InChI

InChI=1S/C34H20N2O8/c37-33(23-9-5-11-25(19-23)35(39)40)43-29-17-15-21-7-1-3-13-27(21)31(29)32-28-14-4-2-8-22(28)16-18-30(32)44-34(38)24-10-6-12-26(20-24)36(41)42/h1-20H

InChI Key

VXLQWNOZDRMUJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00225132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.54

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

7.429

Distribution Coefficient, logD

7.429

Water Solubility, LogSw

-7.34

Polar Surface Area

107.116

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0987-0129 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 0987-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0987-0129?
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What is the minimum amount of 0987-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0987-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0987-0129
  • 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 0987-0129 available by request