SC43-0038 Screening compound: 2-{[9-(5-bromo-2-fluorobenzyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}-1-ethanol

SC43-0038 Screening compound: 2-{[9-(5-bromo-2-fluorobenzyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}-1-ethanol
SC43-0038 Screening compound: 2-{[9-(5-bromo-2-fluorobenzyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}-1-ethanol alternative view

Chemical Structure Depiction of ChemDiv screening compound SC43-0038
2-{[9-(5-bromo-2-fluorobenzyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}-1-ethanol

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

SC43-0038

Molecular Formula

C18H25BrFNO3 (C18 H25 BrFNO3)

Compound Name

2-{[9-(5-bromo-2-fluorobenzyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}-1-ethanol

IUPAC name

2-({9-[(5-bromo-2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}oxy)ethan-1-ol

SMILES

OCCOC1CC2(CCN(Cc(cc(cc3)Br)c3F)CC2)OCC1

InChI

InChI=1S/C18H25BrFNO3/c19-15-1-2-17(20)14(11-15)13-21-6-4-18(5-7-21)12-16(3-9-24-18)23-10-8-22/h1-2,11,16,22H,3-10,12-13H2/t16-/m1/s1

InChI Key

KFXKPBFOYJHHKK-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32258267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.523

Distribution Coefficient, logD

1.797

Water Solubility, LogSw

-2.38

Polar Surface Area

34.160

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SC43-0038 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC43-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC43-0038?
Check Price and Availability of SC43-0038, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SC43-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC43-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC43-0038
  • 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 SC43-0038 available by request