4052-4410 Screening compound: 4-[3,5-bis(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

4052-4410 Screening compound: 4-[3,5-bis(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
4052-4410 Screening compound: 4-[3,5-bis(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4052-4410
4-[3,5-bis(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

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

4052-4410

Molecular Formula

C23H26N2O7 (C23 H26 N2 O7)

Compound Name

4-[3,5-bis(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

IUPAC name

4-[35-bis(34-dimethoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

SMILES

COc(ccc(C(C1)N(C(CCC(O)=O)=O)N=C1c(cc1)cc(OC)c1OC)c1)c1OC

InChI

InChI=1S/C23H26N2O7/c1-29-18-7-5-14(11-20(18)31-3)16-13-17(25(24-16)22(26)9-10-23(27)28)15-6-8-19(30-2)21(12-15)32-4/h5-8,11-12,17H,9-10,13H2,1-4H3,(H,27,28)/t17-/m0/s1

InChI Key

NVLOHLZMMQHMRI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02735665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.243

Distribution Coefficient, logD

-0.706

Water Solubility, LogSw

-2.70

Polar Surface Area

85.764

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with 4052-4410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4052-4410?
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What is the minimum amount of 4052-4410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4052-4410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4052-4410
  • 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 4052-4410 available by request