D046-0062 Screening compound: benzyl 4-(3,4-dimethoxyphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate

D046-0062 Screening compound: benzyl 4-(3,4-dimethoxyphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
D046-0062 Screening compound: benzyl 4-(3,4-dimethoxyphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D046-0062
benzyl 4-(3,4-dimethoxyphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate

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

D046-0062

Molecular Formula

C24H26N2O6 (C24 H26 N2 O6)

Compound Name

benzyl 4-(3,4-dimethoxyphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate

IUPAC name

benzyl 4-(34-dimethoxyphenyl)-36-dihydroxy-6-methyl-4567-tetrahydro-1H-indazole-5-carboxylate

SMILES

CC(Cc1c(C2c(cc3)cc(OC)c3OC)c(O)n[nH]1)(C2C(OCc1ccccc1)=O)O

InChI

InChI=1S/C24H26N2O6/c1-24(29)12-16-20(22(27)26-25-16)19(15-9-10-17(30-2)18(11-15)31-3)21(24)23(28)32-13-14-7-5-4-6-8-14/h4-11,19,21,29H,12-13H2,1-3H3,(H2,25,26,27)

InChI Key

QDGMPZMXICCCNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07394192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.711

Distribution Coefficient, logD

2.126

Water Solubility, LogSw

-3.08

Polar Surface Area

92.554

Acid Dissociation Constant (pKa)

6.94

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D046-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D046-0062?
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What is the minimum amount of D046-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D046-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D046-0062
  • 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 D046-0062 available by request