3949-2425 Screening compound: 2-[5-(2-methyl-4-nitrophenyl)-2-furyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

3949-2425 Screening compound: 2-[5-(2-methyl-4-nitrophenyl)-2-furyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3949-2425 Screening compound: 2-[5-(2-methyl-4-nitrophenyl)-2-furyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3949-2425
2-[5-(2-methyl-4-nitrophenyl)-2-furyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

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

3949-2425

Molecular Formula

C21H17N3O4S (C21 H17 N3 O4 S)

Compound Name

2-[5-(2-methyl-4-nitrophenyl)-2-furyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

5-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

Cc(cc(cc1)[N+]([O-])=O)c1-c1ccc(C(N2)=Nc(sc3c4CCCC3)c4C2=O)o1

InChI

InChI=1S/C21H17N3O4S/c1-11-10-12(24(26)27)6-7-13(11)15-8-9-16(28-15)19-22-20(25)18-14-4-2-3-5-17(14)29-21(18)23-19/h6-10H,2-5H2,1H3,(H,22,23,25)

InChI Key

JSQJUVBVELPHDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02241552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.069

Distribution Coefficient, logD

5.064

Water Solubility, LogSw

-4.83

Polar Surface Area

76.495

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 3949-2425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3949-2425?
Check Price and Availability of 3949-2425, 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 3949-2425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3949-2425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3949-2425
  • 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 3949-2425 available by request