5752-0161 Screening compound: propan-2-yl 4-[(4Z)-4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate

5752-0161 Screening compound: propan-2-yl 4-[(4Z)-4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate
5752-0161 Screening compound: propan-2-yl 4-[(4Z)-4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5752-0161
propan-2-yl 4-[(4Z)-4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate

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

5752-0161

Molecular Formula

C24H24N4O4 (C24 H24 N4 O4)

Compound Name

propan-2-yl 4-[(4Z)-4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate

IUPAC name

propan-2-yl 4-[(4Z)-4-[(13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)methylidene]-3-methyl-5-oxo-45-dihydro-1H-pyrazol-1-yl]benzoate

SMILES

CC(C)OC(c(cc1)ccc1N(C1=O)N=C(C)/C1=C/c(cc1)cc(N2C)c1N(C)C2=O)=O

InChI

InChI=1S/C24H24N4O4/c1-14(2)32-23(30)17-7-9-18(10-8-17)28-22(29)19(15(3)25-28)12-16-6-11-20-21(13-16)27(5)24(31)26(20)4/h6-14H,1-5H3

InChI Key

DLBPCGWZWUCPHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03722512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.658

Distribution Coefficient, logD

3.658

Water Solubility, LogSw

-3.99

Polar Surface Area

63.704

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

-7.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 5752-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5752-0161?
Check Price and Availability of 5752-0161, 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 5752-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5752-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5752-0161
  • 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 5752-0161 available by request