3852-0028 Screening compound: 3-ethyl-1-(4-iodobenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

3852-0028 Screening compound: 3-ethyl-1-(4-iodobenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
3852-0028 Screening compound: 3-ethyl-1-(4-iodobenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3852-0028
3-ethyl-1-(4-iodobenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

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

3852-0028

Molecular Formula

C13H12F3IN2O2 (C13 H12 F3 IN2 O2)

Compound Name

3-ethyl-1-(4-iodobenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

3-ethyl-1-(4-iodobenzoyl)-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

CCC(CC1(C(F)(F)F)O)=NN1C(c(cc1)ccc1I)=O

InChI

InChI=1S/C13H12F3IN2O2/c1-2-10-7-12(21,13(14,15)16)19(18-10)11(20)8-3-5-9(17)6-4-8/h3-6,21H,2,7H2,1H3/t12-/m0/s1

InChI Key

ZXIBASCLAFKKST-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD01125193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.15

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.708

Distribution Coefficient, logD

3.708

Water Solubility, LogSw

-4.01

Polar Surface Area

43.693

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

3852-0028 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 3852-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3852-0028?
Check Price and Availability of 3852-0028, 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 3852-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3852-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3852-0028
  • 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 3852-0028 available by request