D411-0231 Screening compound: N-{4,5-dimethyl-3-[(morpholin-4-yl)methyl]thiophen-2-yl}thiophene-2-carboxamide

D411-0231 Screening compound: N-{4,5-dimethyl-3-[(morpholin-4-yl)methyl]thiophen-2-yl}thiophene-2-carboxamide
D411-0231 Screening compound: N-{4,5-dimethyl-3-[(morpholin-4-yl)methyl]thiophen-2-yl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D411-0231
N-{4,5-dimethyl-3-[(morpholin-4-yl)methyl]thiophen-2-yl}thiophene-2-carboxamide

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

D411-0231

Molecular Formula

C16H20N2O2S2 (C16 H20 N2 O2 S2)

Compound Name

N-{4,5-dimethyl-3-[(morpholin-4-yl)methyl]thiophen-2-yl}thiophene-2-carboxamide

IUPAC name

N-{45-dimethyl-3-[(morpholin-4-yl)methyl]thiophen-2-yl}thiophene-2-carboxamide

SMILES

Cc1c(C)sc(NC(c2cccs2)=O)c1CN1CCOCC1

InChI

InChI=1S/C16H20N2O2S2/c1-11-12(2)22-16(17-15(19)14-4-3-9-21-14)13(11)10-18-5-7-20-8-6-18/h3-4,9H,5-8,10H2,1-2H3,(H,17,19)

InChI Key

RYYFTYNCHZRJQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09540172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.48

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

2.966

Distribution Coefficient, logD

2.639

Water Solubility, LogSw

-3.20

Polar Surface Area

35.783

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

7.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

D411-0231 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D411-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D411-0231?
Check Price and Availability of D411-0231, 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 D411-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D411-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D411-0231
  • 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 D411-0231 available by request