L816-0525 Screening compound: N-(4-bromo-3-methylphenyl)-4-[4-(2-methylpropanamido)-1H-imidazol-1-yl]benzamide

L816-0525 Screening compound: N-(4-bromo-3-methylphenyl)-4-[4-(2-methylpropanamido)-1H-imidazol-1-yl]benzamide
L816-0525 Screening compound: N-(4-bromo-3-methylphenyl)-4-[4-(2-methylpropanamido)-1H-imidazol-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L816-0525
N-(4-bromo-3-methylphenyl)-4-[4-(2-methylpropanamido)-1H-imidazol-1-yl]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

L816-0525

Molecular Formula

C21H21BrN4O2 (C21 H21 BrN4 O2)

Compound Name

N-(4-bromo-3-methylphenyl)-4-[4-(2-methylpropanamido)-1H-imidazol-1-yl]benzamide

IUPAC name

N-(4-bromo-3-methylphenyl)-4-[4-(2-methylpropanamido)-1H-imidazol-1-yl]benzamide

SMILES

CC(C)C(Nc(nc1)cn1-c(cc1)ccc1C(Nc(cc1)cc(C)c1Br)=O)=O

InChI

InChI=1S/C21H21BrN4O2/c1-13(2)20(27)25-19-11-26(12-23-19)17-7-4-15(5-8-17)21(28)24-16-6-9-18(22)14(3)10-16/h4-13H,1-3H3,(H,24,28)(H,25,27)

InChI Key

DPTQUBUZESUMGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15135094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.715

Distribution Coefficient, logD

4.709

Water Solubility, LogSw

-4.28

Polar Surface Area

59.498

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

L816-0525 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with L816-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L816-0525?
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What is the minimum amount of L816-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L816-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L816-0525
  • 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 L816-0525 available by request