5926-0087F Screening compound: 9-[3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one

5926-0087F Screening compound: 9-[3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
5926-0087F Screening compound: 9-[3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5926-0087F
9-[3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one

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

5926-0087F

Molecular Formula

C23H27N3O3 (C23 H27 N3 O3)

Compound Name

9-[3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one

IUPAC name

9-[3-(4-acetyl-35-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-6-methyl-2349-tetrahydro-1H-carbazol-1-one

SMILES

CC(c1c(C)n(CC(Cn2c(C(CCC3)=O)c3c3c2ccc(C)c3)O)nc1C)=O

InChI

InChI=1S/C23H27N3O3/c1-13-8-9-20-19(10-13)18-6-5-7-21(29)23(18)25(20)11-17(28)12-26-15(3)22(16(4)27)14(2)24-26/h8-10,17,28H,5-7,11-12H2,1-4H3/t17-/m0/s1

InChI Key

XJUQIVFIWRNALO-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.810

Distribution Coefficient, logD

2.810

Water Solubility, LogSw

-3.04

Polar Surface Area

59.248

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

5926-0087F in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5926-0087F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5926-0087F?
Check Price and Availability of 5926-0087F, 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 5926-0087F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5926-0087F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5926-0087F
  • 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 5926-0087F available by request