8104-00688 Screening compound: methyl 5-{[(5-methylthiophen-2-yl)methyl]amino}-2-(morpholin-4-yl)benzoate

8104-00688 Screening compound: methyl 5-{[(5-methylthiophen-2-yl)methyl]amino}-2-(morpholin-4-yl)benzoate
8104-00688 Screening compound: methyl 5-{[(5-methylthiophen-2-yl)methyl]amino}-2-(morpholin-4-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8104-00688
methyl 5-{[(5-methylthiophen-2-yl)methyl]amino}-2-(morpholin-4-yl)benzoate

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

8104-00688

Molecular Formula

C18H22N2O3S (C18 H22 N2 O3 S)

Compound Name

methyl 5-{[(5-methylthiophen-2-yl)methyl]amino}-2-(morpholin-4-yl)benzoate

IUPAC name

methyl 5-{[(5-methylthiophen-2-yl)methyl]amino}-2-(morpholin-4-yl)benzoate

SMILES

Cc1ccc(CNc(cc2)cc(C(OC)=O)c2N2CCOCC2)s1

InChI

InChI=1S/C18H22N2O3S/c1-13-3-5-15(24-13)12-19-14-4-6-17(16(11-14)18(21)22-2)20-7-9-23-10-8-20/h3-6,11,19H,7-10,12H2,1-2H3

InChI Key

QJXMJUUYDUTNHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06664340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.648

Distribution Coefficient, logD

3.648

Water Solubility, LogSw

-3.89

Polar Surface Area

43.725

Acid Dissociation Constant (pKa)

20.02

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with 8104-00688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8104-00688?
Check Price and Availability of 8104-00688, 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 8104-00688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8104-00688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8104-00688
  • 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 8104-00688 available by request