D054-0215 Screening compound: 5-chloro-N~4~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(methylsulfanyl)-N~4~-(2-thienylmethyl)-4-pyrimidinecarboxamide

D054-0215 Screening compound: 5-chloro-N~4~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(methylsulfanyl)-N~4~-(2-thienylmethyl)-4-pyrimidinecarboxamide
D054-0215 Screening compound: 5-chloro-N~4~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(methylsulfanyl)-N~4~-(2-thienylmethyl)-4-pyrimidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D054-0215
5-chloro-N~4~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(methylsulfanyl)-N~4~-(2-thienylmethyl)-4-pyrimidinecarboxamide

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

D054-0215

Molecular Formula

C15H16ClN3O3S3 (C15 H16 ClN3 O3 S3)

Compound Name

5-chloro-N~4~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(methylsulfanyl)-N~4~-(2-thienylmethyl)-4-pyrimidinecarboxamide

IUPAC name

5-chloro-N-(11-dioxo-1lambda6-thiolan-3-yl)-2-(methylsulfanyl)-N-[(thiophen-2-yl)methyl]pyrimidine-4-carboxamide

SMILES

CSc(nc1)nc(C(N(Cc2cccs2)C(CC2)CS2(=O)=O)=O)c1Cl

InChI

InChI=1S/C15H16ClN3O3S3/c1-23-15-17-7-12(16)13(18-15)14(20)19(8-11-3-2-5-24-11)10-4-6-25(21,22)9-10/h2-3,5,7,10H,4,6,8-9H2,1H3/t10-/m0/s1

InChI Key

QEJAFVSHYHLYGC-JTQLQIEISA-N

MDL Number (MFCD)

MFCD06632599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.96

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.112

Distribution Coefficient, logD

2.112

Water Solubility, LogSw

-2.72

Polar Surface Area

63.463

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D054-0215 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D054-0215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D054-0215?
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What is the minimum amount of D054-0215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D054-0215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D054-0215
  • 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 D054-0215 available by request