D046-0009 Screening compound: methyl 4-(4-chlorophenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate

D046-0009 Screening compound: methyl 4-(4-chlorophenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
D046-0009 Screening compound: methyl 4-(4-chlorophenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D046-0009
methyl 4-(4-chlorophenyl)-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

D046-0009

Molecular Formula

C16H17ClN2O4 (C16 H17 ClN2 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(Cc1c(C2c(cc3)ccc3Cl)c(O)n[nH]1)(C2C(OC)=O)O

InChI

InChI=1S/C16H17ClN2O4/c1-16(22)7-10-12(14(20)19-18-10)11(13(16)15(21)23-2)8-3-5-9(17)6-4-8/h3-6,11,13,22H,7H2,1-2H3,(H2,18,19,20)

InChI Key

ATCJCEAMUVLFLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07394175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.77

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

2.014

Distribution Coefficient, logD

1.429

Water Solubility, LogSw

-2.96

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

D046-0009 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 D046-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D046-0009?
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What is the minimum amount of D046-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D046-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D046-0009
  • 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 D046-0009 available by request