D046-0018 Screening compound: methyl 3,6-dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate

D046-0018 Screening compound: methyl 3,6-dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
D046-0018 Screening compound: methyl 3,6-dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D046-0018
methyl 3,6-dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-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

D046-0018

Molecular Formula

C17H20N2O6 (C17 H20 N2 O6)

Compound Name

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

IUPAC name

methyl 36-dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-4567-tetrahydro-1H-indazole-5-carboxylate

SMILES

CC(Cc1c(C2c(cc3)cc(OC)c3O)c(O)n[nH]1)(C2C(OC)=O)O

InChI

InChI=1S/C17H20N2O6/c1-17(23)7-9-13(15(21)19-18-9)12(14(17)16(22)25-3)8-4-5-10(20)11(6-8)24-2/h4-6,12,14,20,23H,7H2,1-3H3,(H2,18,19,21)

InChI Key

VUGOLLUZWMJXDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07394176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.671

Distribution Coefficient, logD

0.085

Water Solubility, LogSw

-1.80

Polar Surface Area

101.788

Acid Dissociation Constant (pKa)

6.94

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

41.20

D046-0018 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with D046-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D046-0018?
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What is the minimum amount of D046-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D046-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D046-0018
  • 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 D046-0018 available by request