F971-0545 Screening compound: 4-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-N-(3-methylbutyl)benzamide

F971-0545 Screening compound: 4-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-N-(3-methylbutyl)benzamide
F971-0545 Screening compound: 4-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-N-(3-methylbutyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F971-0545
4-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-N-(3-methylbutyl)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

F971-0545

Molecular Formula

C21H25N3O (C21 H25 N3 O)

Compound Name

4-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-N-(3-methylbutyl)benzamide

IUPAC name

4-[2-(1H-13-benzodiazol-2-yl)ethyl]-N-(3-methylbutyl)benzamide

SMILES

CC(C)CCNC(c1ccc(CCc2nc(cccc3)c3[nH]2)cc1)=O

InChI

InChI=1S/C21H25N3O/c1-15(2)13-14-22-21(25)17-10-7-16(8-11-17)9-12-20-23-18-5-3-4-6-19(18)24-20/h3-8,10-11,15H,9,12-14H2,1-2H3,(H,22,25)(H,23,24)

InChI Key

PXFAKJGGOJFUSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27206261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.514

Distribution Coefficient, logD

4.488

Water Solubility, LogSw

-4.26

Polar Surface Area

44.775

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F971-0545 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with F971-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F971-0545?
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What is the minimum amount of F971-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F971-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F971-0545
  • 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 F971-0545 available by request