M111-1268 Screening compound: 2-bromo-N~1~-(cyclopropylmethyl)-N~1~-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide

M111-1268 Screening compound: 2-bromo-N~1~-(cyclopropylmethyl)-N~1~-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide
M111-1268 Screening compound: 2-bromo-N~1~-(cyclopropylmethyl)-N~1~-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M111-1268
2-bromo-N~1~-(cyclopropylmethyl)-N~1~-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]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

M111-1268

Molecular Formula

C18H22BrN3O (C18 H22 BrN3 O)

Compound Name

2-bromo-N~1~-(cyclopropylmethyl)-N~1~-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide

IUPAC name

n/a

SMILES

Cc1c(CN(CC2CC2)C(c(cccc2)c2Br)=O)c(C)nn1C

InChI

InChI=1S/C18H22BrN3O/c1-12-16(13(2)21(3)20-12)11-22(10-14-8-9-14)18(23)15-6-4-5-7-17(15)19/h4-7,14H,8-11H2,1-3H3

InChI Key

ZNEBEIWMPORMQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15141055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.690

Distribution Coefficient, logD

2.690

Water Solubility, LogSw

-3.10

Polar Surface Area

31.540

Acid Dissociation Constant (pKa)

23.12

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

M111-1268 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 M111-1268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M111-1268?
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What is the minimum amount of M111-1268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M111-1268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M111-1268
  • 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 M111-1268 available by request