C688-1177 Screening compound: 3-(4-ethylphenyl)-1-propyl[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

C688-1177 Screening compound: 3-(4-ethylphenyl)-1-propyl[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
C688-1177 Screening compound: 3-(4-ethylphenyl)-1-propyl[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-1177
3-(4-ethylphenyl)-1-propyl[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

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

C688-1177

Molecular Formula

C21H20N2O2S (C21 H20 N2 O2 S)

Compound Name

3-(4-ethylphenyl)-1-propyl[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

5-(4-ethylphenyl)-3-propyl-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraene-46-dione

SMILES

CCCN(c1c(C(N2c3ccc(CC)cc3)=O)sc3c1cccc3)C2=O

InChI

InChI=1S/C21H20N2O2S/c1-3-13-22-18-16-7-5-6-8-17(16)26-19(18)20(24)23(21(22)25)15-11-9-14(4-2)10-12-15/h5-12H,3-4,13H2,1-2H3

InChI Key

FVOJRTLOMILFKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.214

Distribution Coefficient, logD

5.214

Water Solubility, LogSw

-5.25

Polar Surface Area

32.809

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with C688-1177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1177?
Check Price and Availability of C688-1177, 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 C688-1177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1177
  • 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 C688-1177 available by request