C280-1106 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({3-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide

C280-1106 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({3-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
C280-1106 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({3-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C280-1106
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({3-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide

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

C280-1106

Molecular Formula

C17H17N3O4S2 (C17 H17 N3 O4 S2)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({3-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-({3-methyl-4-oxo-3H4H6H7H-thieno[32-d]pyrimidin-2-yl}sulfanyl)acetamide

SMILES

CN(C1=O)C(SCC(Nc(cc2)cc3c2OCCO3)=O)=NC2=C1SCC2

InChI

InChI=1S/C17H17N3O4S2/c1-20-16(22)15-11(4-7-25-15)19-17(20)26-9-14(21)18-10-2-3-12-13(8-10)24-6-5-23-12/h2-3,8H,4-7,9H2,1H3,(H,18,21)

InChI Key

HWMKBBZUWKLDSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05939782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.634

Distribution Coefficient, logD

0.634

Water Solubility, LogSw

-2.29

Polar Surface Area

65.118

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C280-1106 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 C280-1106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C280-1106?
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What is the minimum amount of C280-1106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C280-1106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C280-1106
  • 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 C280-1106 available by request