3721-3574 Screening compound: methyl 2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]-3-nitrobenzoate

3721-3574 Screening compound: methyl 2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]-3-nitrobenzoate
3721-3574 Screening compound: methyl 2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]-3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3721-3574
methyl 2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]-3-nitrobenzoate

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

3721-3574

Molecular Formula

C20H18N4O6 (C20 H18 N4 O6)

Compound Name

methyl 2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]-3-nitrobenzoate

IUPAC name

methyl 2-[(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)carbamoyl]-3-nitrobenzoate

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(c(c(C(OC)=O)ccc1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C20H18N4O6/c1-12-17(19(26)23(22(12)2)13-8-5-4-6-9-13)21-18(25)16-14(20(27)30-3)10-7-11-15(16)24(28)29/h4-11H,1-3H3,(H,21,25)

InChI Key

IFLKAQFUNFHFOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02640603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.375

Distribution Coefficient, logD

-2.034

Water Solubility, LogSw

-2.08

Polar Surface Area

97.965

Acid Dissociation Constant (pKa)

3.99

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

3721-3574 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3721-3574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3721-3574?
Check Price and Availability of 3721-3574, 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 3721-3574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3721-3574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3721-3574
  • 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 3721-3574 available by request