C280-1115 Screening compound: methyl 4-[2-({3-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate

C280-1115 Screening compound: methyl 4-[2-({3-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
C280-1115 Screening compound: methyl 4-[2-({3-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C280-1115
methyl 4-[2-({3-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate

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

C280-1115

Molecular Formula

C17H17N3O4S2 (C17 H17 N3 O4 S2)

Compound Name

methyl 4-[2-({3-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate

IUPAC name

methyl 4-[2-({3-methyl-4-oxo-3H4H6H7H-thieno[32-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate

SMILES

CN(C1=O)C(SCC(Nc(cc2)ccc2C(OC)=O)=O)=NC2=C1SCC2

InChI

InChI=1S/C17H17N3O4S2/c1-20-15(22)14-12(7-8-25-14)19-17(20)26-9-13(21)18-11-5-3-10(4-6-11)16(23)24-2/h3-6H,7-9H2,1-2H3,(H,18,21)

InChI Key

WVGWQCWVRUOEAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05939792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.752

Distribution Coefficient, logD

1.752

Water Solubility, LogSw

-2.39

Polar Surface Area

70.468

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with C280-1115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C280-1115?
Check Price and Availability of C280-1115, 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 C280-1115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C280-1115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C280-1115
  • 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 C280-1115 available by request