1755-0004 Screening compound: N-(4-bromo-2-fluorophenyl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(4-nitrophenyl)propanamide

1755-0004 Screening compound: N-(4-bromo-2-fluorophenyl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(4-nitrophenyl)propanamide
1755-0004 Screening compound: N-(4-bromo-2-fluorophenyl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(4-nitrophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1755-0004
N-(4-bromo-2-fluorophenyl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(4-nitrophenyl)propanamide

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

1755-0004

Molecular Formula

C23H15BrFN3O5 (C23 H15 BrFN3 O5)

Compound Name

N-(4-bromo-2-fluorophenyl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(4-nitrophenyl)propanamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-(4-nitrophenyl)propanamide

SMILES

[O-][N+](c1ccc(CC(C(Nc(ccc(Br)c2)c2F)=O)N(C(c2c3cccc2)=O)C3=O)cc1)=O

InChI

InChI=1S/C23H15BrFN3O5/c24-14-7-10-19(18(25)12-14)26-21(29)20(11-13-5-8-15(9-6-13)28(32)33)27-22(30)16-3-1-2-4-17(16)23(27)31/h1-10,12,20H,11H2,(H,26,29)/t20-/m0/s1

InChI Key

XQXWZFFQIWWMER-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01077453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.29

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.393

Distribution Coefficient, logD

5.361

Water Solubility, LogSw

-5.71

Polar Surface Area

84.192

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

1755-0004 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1755-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1755-0004?
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What is the minimum amount of 1755-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1755-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1755-0004
  • 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 1755-0004 available by request