1000-0854 Screening compound: 4-bromo-N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]-N-(4-methylphenyl)benzamide

1000-0854 Screening compound: 4-bromo-N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]-N-(4-methylphenyl)benzamide
1000-0854 Screening compound: 4-bromo-N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]-N-(4-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1000-0854
4-bromo-N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]-N-(4-methylphenyl)benzamide

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

1000-0854

Molecular Formula

C26H23BrN2O3 (C26 H23 BrN2 O3)

Compound Name

4-bromo-N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]-N-(4-methylphenyl)benzamide

IUPAC name

4-bromo-N-[4-(13-dioxo-23-dihydro-1H-isoindol-2-yl)butyl]-N-(4-methylphenyl)benzamide

SMILES

Cc(cc1)ccc1N(CCCCN(C(c1c2cccc1)=O)C2=O)C(c(cc1)ccc1Br)=O

InChI

InChI=1S/C26H23BrN2O3/c1-18-8-14-21(15-9-18)28(24(30)19-10-12-20(27)13-11-19)16-4-5-17-29-25(31)22-6-2-3-7-23(22)26(29)32/h2-3,6-15H,4-5,16-17H2,1H3

InChI Key

FXZWBKBPWDAAER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.494

Distribution Coefficient, logD

5.494

Water Solubility, LogSw

-5.33

Polar Surface Area

45.071

Acid Dissociation Constant (pKa)

27.21

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

1000-0854 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 1000-0854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1000-0854?
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What is the minimum amount of 1000-0854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1000-0854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1000-0854
  • 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 1000-0854 available by request