D046-0021 Screening compound: methyl 4-(4-ethoxyphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate

D046-0021 Screening compound: methyl 4-(4-ethoxyphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
D046-0021 Screening compound: methyl 4-(4-ethoxyphenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D046-0021
methyl 4-(4-ethoxyphenyl)-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

D046-0021

Molecular Formula

C18H22N2O5 (C18 H22 N2 O5)

Compound Name

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

IUPAC name

methyl 4-(4-ethoxyphenyl)-36-dihydroxy-6-methyl-4567-tetrahydro-1H-indazole-5-carboxylate

SMILES

CCOc1ccc(C(C(C(C)(C2)O)C(OC)=O)c3c2[nH]nc3O)cc1

InChI

InChI=1S/C18H22N2O5/c1-4-25-11-7-5-10(6-8-11)13-14-12(19-20-16(14)21)9-18(2,23)15(13)17(22)24-3/h5-8,13,15,23H,4,9H2,1-3H3,(H2,19,20,21)

InChI Key

JFJIGPZKTYYUGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07394178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.789

Distribution Coefficient, logD

1.203

Water Solubility, LogSw

-2.16

Polar Surface Area

84.733

Acid Dissociation Constant (pKa)

6.94

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with D046-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D046-0021?
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What is the minimum amount of D046-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D046-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D046-0021
  • 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 D046-0021 available by request