3405-0183 Screening compound: 4-(3-bromo-4-methoxybenzenecarbothioyl)morpholine

3405-0183 Screening compound: 4-(3-bromo-4-methoxybenzenecarbothioyl)morpholine
3405-0183 Screening compound: 4-(3-bromo-4-methoxybenzenecarbothioyl)morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3405-0183
4-(3-bromo-4-methoxybenzenecarbothioyl)morpholine

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

3405-0183

Molecular Formula

C12H14BrNO2S (C12 H14 BrNO2 S)

Compound Name

4-(3-bromo-4-methoxybenzenecarbothioyl)morpholine

IUPAC name

4-(3-bromo-4-methoxybenzenecarbothioyl)morpholine

SMILES

COc(ccc(C(N1CCOCC1)=S)c1)c1Br

InChI

InChI=1S/C12H14BrNO2S/c1-15-11-3-2-9(8-10(11)13)12(17)14-4-6-16-7-5-14/h2-3,8H,4-7H2,1H3

InChI Key

JDQDRFIXVAJUGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01053158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.878

Distribution Coefficient, logD

2.878

Water Solubility, LogSw

-3.17

Polar Surface Area

17.726

Acid Dissociation Constant (pKa)

28.94

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

3405-0183 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3405-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3405-0183?
Check Price and Availability of 3405-0183, 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 3405-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3405-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3405-0183
  • 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 3405-0183 available by request