8019-5691 Screening compound: ethyl 4-(4-fluorophenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate

8019-5691 Screening compound: ethyl 4-(4-fluorophenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
8019-5691 Screening compound: ethyl 4-(4-fluorophenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5691
ethyl 4-(4-fluorophenyl)-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

8019-5691

Molecular Formula

C17H19FN2O4 (C17 H19 FN2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c1c(C2)[nH]nc1O)c(cc1)ccc1F)C2(C)O)=O

InChI

InChI=1S/C17H19FN2O4/c1-3-24-16(22)14-12(9-4-6-10(18)7-5-9)13-11(8-17(14,2)23)19-20-15(13)21/h4-7,12,14,23H,3,8H2,1-2H3,(H2,19,20,21)

InChI Key

HUFGRJPXPTUJFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.854

Distribution Coefficient, logD

1.268

Water Solubility, LogSw

-2.26

Polar Surface Area

77.189

Acid Dissociation Constant (pKa)

6.94

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

41.20

8019-5691 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 8019-5691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5691?
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What is the minimum amount of 8019-5691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5691
  • 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 8019-5691 available by request