L165-0842 Screening compound: 4-bromo-N-(4-{1-[(isobutylamino)carbonyl]cyclopropyl}phenyl)benzamide

L165-0842 Screening compound: 4-bromo-N-(4-{1-[(isobutylamino)carbonyl]cyclopropyl}phenyl)benzamide
L165-0842 Screening compound: 4-bromo-N-(4-{1-[(isobutylamino)carbonyl]cyclopropyl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L165-0842
4-bromo-N-(4-{1-[(isobutylamino)carbonyl]cyclopropyl}phenyl)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

L165-0842

Molecular Formula

C21H23BrN2O2 (C21 H23 BrN2 O2)

Compound Name

4-bromo-N-(4-{1-[(isobutylamino)carbonyl]cyclopropyl}phenyl)benzamide

IUPAC name

4-bromo-N-(4-{1-[(2-methylpropyl)carbamoyl]cyclopropyl}phenyl)benzamide

SMILES

CC(C)CNC(C1(CC1)c(cc1)ccc1NC(c(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C21H23BrN2O2/c1-14(2)13-23-20(26)21(11-12-21)16-5-9-18(10-6-16)24-19(25)15-3-7-17(22)8-4-15/h3-10,14H,11-13H2,1-2H3,(H,23,26)(H,24,25)

InChI Key

JWAZBBCIOLFPFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27235817

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

415.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.363

Distribution Coefficient, logD

4.363

Water Solubility, LogSw

-4.29

Polar Surface Area

48.266

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

L165-0842 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with L165-0842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L165-0842?
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What is the minimum amount of L165-0842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L165-0842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L165-0842
  • 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 L165-0842 available by request