D046-0001 Screening compound: methyl 3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate

D046-0001 Screening compound: methyl 3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
D046-0001 Screening compound: methyl 3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D046-0001
methyl 3,6-dihydroxy-6-methyl-4-phenyl-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

D046-0001

Molecular Formula

C16H18N2O4 (C16 H18 N2 O4)

Compound Name

methyl 3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate

IUPAC name

methyl 36-dihydroxy-6-methyl-4-phenyl-4567-tetrahydro-1H-indazole-5-carboxylate

SMILES

CC(Cc1c(C2c3ccccc3)c(O)n[nH]1)(C2C(OC)=O)O

InChI

InChI=1S/C16H18N2O4/c1-16(21)8-10-12(14(19)18-17-10)11(13(16)15(20)22-2)9-6-4-3-5-7-9/h3-7,11,13,21H,8H2,1-2H3,(H2,17,18,19)

InChI Key

VZHOLBOAQIAJJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06590950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.424

Distribution Coefficient, logD

0.838

Water Solubility, LogSw

-1.67

Polar Surface Area

77.609

Acid Dissociation Constant (pKa)

6.94

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with D046-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D046-0001?
Check Price and Availability of D046-0001, 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 D046-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D046-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D046-0001
  • 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 D046-0001 available by request