D411-0849 Screening compound: ethyl 4-{[4,5-dimethyl-2-(thiophene-2-amido)thiophen-3-yl](pyridin-3-yl)methyl}piperazine-1-carboxylate

D411-0849 Screening compound: ethyl 4-{[4,5-dimethyl-2-(thiophene-2-amido)thiophen-3-yl](pyridin-3-yl)methyl}piperazine-1-carboxylate
D411-0849 Screening compound: ethyl 4-{[4,5-dimethyl-2-(thiophene-2-amido)thiophen-3-yl](pyridin-3-yl)methyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D411-0849
ethyl 4-{[4,5-dimethyl-2-(thiophene-2-amido)thiophen-3-yl](pyridin-3-yl)methyl}piperazine-1-carboxylate

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

D411-0849

Molecular Formula

C24H28N4O3S2 (C24 H28 N4 O3 S2)

Compound Name

ethyl 4-{[4,5-dimethyl-2-(thiophene-2-amido)thiophen-3-yl](pyridin-3-yl)methyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{[45-dimethyl-2-(thiophene-2-amido)thiophen-3-yl](pyridin-3-yl)methyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c1c(NC(c2cccs2)=O)sc(C)c1C)c1cnccc1)=O

InChI

InChI=1S/C24H28N4O3S2/c1-4-31-24(30)28-12-10-27(11-13-28)21(18-7-5-9-25-15-18)20-16(2)17(3)33-23(20)26-22(29)19-8-6-14-32-19/h5-9,14-15,21H,4,10-13H2,1-3H3,(H,26,29)/t21-/m1/s1

InChI Key

OZJKETKSVZEFNF-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD09540567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.279

Distribution Coefficient, logD

4.256

Water Solubility, LogSw

-3.78

Polar Surface Area

59.194

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

D411-0849 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D411-0849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D411-0849?
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What is the minimum amount of D411-0849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D411-0849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D411-0849
  • 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 D411-0849 available by request