C280-1064 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-fluorophenyl)-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

C280-1064 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-fluorophenyl)-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
C280-1064 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-fluorophenyl)-6-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 C280-1064
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-fluorophenyl)-6-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

C280-1064

Molecular Formula

C22H18FN3O4S2 (C22 H18 FN3 O4 S2)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-fluorophenyl)-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{[3-(4-fluorophenyl)-6-methyl-4-oxo-3H4H6H7H-thieno[32-d]pyrimidin-2-yl]sulfanyl}acetamide

SMILES

CC(C1)SC(C(N2c(cc3)ccc3F)=O)=C1N=C2SCC(Nc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C22H18FN3O4S2/c1-12-8-16-20(32-12)21(28)26(15-5-2-13(23)3-6-15)22(25-16)31-10-19(27)24-14-4-7-17-18(9-14)30-11-29-17/h2-7,9,12H,8,10-11H2,1H3,(H,24,27)/t12-/m0/s1

InChI Key

DXMHLIJLAATIBA-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD04997472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.528

Distribution Coefficient, logD

3.528

Water Solubility, LogSw

-3.82

Polar Surface Area

65.761

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

C280-1064 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C280-1064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C280-1064?
Check Price and Availability of C280-1064, 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 C280-1064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C280-1064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C280-1064
  • 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 C280-1064 available by request