D015-0279 Screening compound: 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-(2-hydroxyphenyl)propan-1-one

D015-0279 Screening compound: 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-(2-hydroxyphenyl)propan-1-one
D015-0279 Screening compound: 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-(2-hydroxyphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D015-0279
1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-(2-hydroxyphenyl)propan-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

D015-0279

Molecular Formula

C17H21F3N2O3 (C17 H21 F3 N2 O3)

Compound Name

1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-(2-hydroxyphenyl)propan-1-one

IUPAC name

1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-1-yl]-3-(2-hydroxyphenyl)propan-1-one

SMILES

CCCCC(CC1(C(F)(F)F)O)=NN1C(CCc(cccc1)c1O)=O

InChI

InChI=1S/C17H21F3N2O3/c1-2-3-7-13-11-16(25,17(18,19)20)22(21-13)15(24)10-9-12-6-4-5-8-14(12)23/h4-6,8,23,25H,2-3,7,9-11H2,1H3/t16-/m0/s1

InChI Key

NLTMCAOBMVTPLF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD05993395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.398

Distribution Coefficient, logD

3.397

Water Solubility, LogSw

-3.26

Polar Surface Area

59.714

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

D015-0279 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 D015-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D015-0279?
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What is the minimum amount of D015-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D015-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D015-0279
  • 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 D015-0279 available by request