4607-1618 Screening compound: 1-[4-(dimethylamino)benzoyl]-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

4607-1618 Screening compound: 1-[4-(dimethylamino)benzoyl]-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
4607-1618 Screening compound: 1-[4-(dimethylamino)benzoyl]-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4607-1618
1-[4-(dimethylamino)benzoyl]-3-(3-methoxyphenyl)-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

4607-1618

Molecular Formula

C20H20F3N3O3 (C20 H20 F3 N3 O3)

Compound Name

1-[4-(dimethylamino)benzoyl]-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

1-[4-(dimethylamino)benzoyl]-3-(3-methoxyphenyl)-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

CN(C)c(cc1)ccc1C(N(C(C1)(C(F)(F)F)O)N=C1c1cc(OC)ccc1)=O

InChI

InChI=1S/C20H20F3N3O3/c1-25(2)15-9-7-13(8-10-15)18(27)26-19(28,20(21,22)23)12-17(24-26)14-5-4-6-16(11-14)29-3/h4-11,28H,12H2,1-3H3/t19-/m0/s1

InChI Key

LAEMZPPUUGXNLH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02912315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.577

Distribution Coefficient, logD

3.577

Water Solubility, LogSw

-3.85

Polar Surface Area

53.867

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 4607-1618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4607-1618?
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What is the minimum amount of 4607-1618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4607-1618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4607-1618
  • 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 4607-1618 available by request