8015-2761 Screening compound: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine

8015-2761 Screening compound: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
8015-2761 Screening compound: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2761
1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)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

8015-2761

Molecular Formula

C18H17ClF3N3O4S (C18 H17 ClF3 N3 O4 S)

Compound Name

1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine

IUPAC name

1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(23-dihydro-14-benzodioxine-6-sulfonyl)piperazine

SMILES

O=S(c(cc1)cc2c1OCCO2)(N(CC1)CCN1c(ncc(C(F)(F)F)c1)c1Cl)=O

InChI

InChI=1S/C18H17ClF3N3O4S/c19-14-9-12(18(20,21)22)11-23-17(14)24-3-5-25(6-4-24)30(26,27)13-1-2-15-16(10-13)29-8-7-28-15/h1-2,9-11H,3-8H2

InChI Key

VDBUZZSIUMTOSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.922

Distribution Coefficient, logD

2.922

Water Solubility, LogSw

-3.44

Polar Surface Area

60.103

Acid Dissociation Constant (pKa)

24.57

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

8015-2761 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-2761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2761?
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What is the minimum amount of 8015-2761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2761
  • 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 8015-2761 available by request