M148-8594 Screening compound: 2-[4-(4-chlorophenyl)-3-(dimethylamino)-1H-pyrazol-1-yl]-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one

M148-8594 Screening compound: 2-[4-(4-chlorophenyl)-3-(dimethylamino)-1H-pyrazol-1-yl]-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one
M148-8594 Screening compound: 2-[4-(4-chlorophenyl)-3-(dimethylamino)-1H-pyrazol-1-yl]-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M148-8594
2-[4-(4-chlorophenyl)-3-(dimethylamino)-1H-pyrazol-1-yl]-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one

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

M148-8594

Molecular Formula

C22H23ClN4O2 (C22 H23 ClN4 O2)

Compound Name

2-[4-(4-chlorophenyl)-3-(dimethylamino)-1H-pyrazol-1-yl]-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one

IUPAC name

2-[4-(4-chlorophenyl)-3-(dimethylamino)-1H-pyrazol-1-yl]-1-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)ethan-1-one

SMILES

Cc(cc1)cc2c1OCCN2C(Cn(cc1-c(cc2)ccc2Cl)nc1N(C)C)=O

InChI

InChI=1S/C22H23ClN4O2/c1-15-4-9-20-19(12-15)27(10-11-29-20)21(28)14-26-13-18(22(24-26)25(2)3)16-5-7-17(23)8-6-16/h4-9,12-13H,10-11,14H2,1-3H3

InChI Key

UKCDDNFKJXIKTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27532643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.063

Distribution Coefficient, logD

4.063

Water Solubility, LogSw

-4.47

Polar Surface Area

39.995

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

M148-8594 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 M148-8594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M148-8594?
Check Price and Availability of M148-8594, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M148-8594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M148-8594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M148-8594
  • 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 M148-8594 available by request