8017-5457 Screening compound: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(3,4-dimethoxybenzoyl)piperazine

8017-5457 Screening compound: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(3,4-dimethoxybenzoyl)piperazine
8017-5457 Screening compound: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(3,4-dimethoxybenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5457
1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(3,4-dimethoxybenzoyl)piperazine

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

8017-5457

Molecular Formula

C19H19ClF3N3O3 (C19 H19 ClF3 N3 O3)

Compound Name

1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(3,4-dimethoxybenzoyl)piperazine

IUPAC name

1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(34-dimethoxybenzoyl)piperazine

SMILES

COc(ccc(C(N(CC1)CCN1c(ncc(C(F)(F)F)c1)c1Cl)=O)c1)c1OC

InChI

InChI=1S/C19H19ClF3N3O3/c1-28-15-4-3-12(9-16(15)29-2)18(27)26-7-5-25(6-8-26)17-14(20)10-13(11-24-17)19(21,22)23/h3-4,9-11H,5-8H2,1-2H3

InChI Key

VENKHIVCVFHPFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.147

Distribution Coefficient, logD

3.147

Water Solubility, LogSw

-3.35

Polar Surface Area

44.478

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

8017-5457 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-5457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5457?
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What is the minimum amount of 8017-5457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5457
  • 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 8017-5457 available by request