F874-0299 Screening compound: 6-chloro-2-{[4-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole

F874-0299 Screening compound: 6-chloro-2-{[4-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
F874-0299 Screening compound: 6-chloro-2-{[4-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F874-0299
6-chloro-2-{[4-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole

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

F874-0299

Molecular Formula

C22H24ClN3O3S (C22 H24 ClN3 O3 S)

Compound Name

6-chloro-2-{[4-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole

IUPAC name

6-chloro-2-{[4-(5678-tetrahydronaphthalene-2-sulfonyl)piperazin-1-yl]methyl}-13-benzoxazole

SMILES

O=S(c1cc(CCCC2)c2cc1)(N1CCN(Cc2nc(ccc(Cl)c3)c3o2)CC1)=O

InChI

InChI=1S/C22H24ClN3O3S/c23-18-6-8-20-21(14-18)29-22(24-20)15-25-9-11-26(12-10-25)30(27,28)19-7-5-16-3-1-2-4-17(16)13-19/h5-8,13-14H,1-4,9-12,15H2

InChI Key

OTYNAZVJYACUGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27201416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.824

Distribution Coefficient, logD

4.824

Water Solubility, LogSw

-4.84

Polar Surface Area

52.158

Acid Dissociation Constant (pKa)

25.48

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

F874-0299 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F874-0299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F874-0299?
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What is the minimum amount of F874-0299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F874-0299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F874-0299
  • 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 F874-0299 available by request