D051-0029 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-[(3-methyl-2-thienyl)methyl]-2-thiophenecarboxamide

D051-0029 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-[(3-methyl-2-thienyl)methyl]-2-thiophenecarboxamide
D051-0029 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-[(3-methyl-2-thienyl)methyl]-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D051-0029
N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-[(3-methyl-2-thienyl)methyl]-2-thiophenecarboxamide

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

D051-0029

Molecular Formula

C15H17NO3S3 (C15 H17 NO3 S3)

Compound Name

N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-[(3-methyl-2-thienyl)methyl]-2-thiophenecarboxamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide

SMILES

Cc1c(CN(C(CC2)CS2(=O)=O)C(c2cccs2)=O)scc1

InChI

InChI=1S/C15H17NO3S3/c1-11-4-7-21-14(11)9-16(12-5-8-22(18,19)10-12)15(17)13-3-2-6-20-13/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m1/s1

InChI Key

KJPONJXFYYTHEL-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD06633953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.336

Distribution Coefficient, logD

2.336

Water Solubility, LogSw

-2.50

Polar Surface Area

45.896

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-5.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D051-0029 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D051-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D051-0029?
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What is the minimum amount of D051-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D051-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D051-0029
  • 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 D051-0029 available by request