C688-1015 Screening compound: 1-benzyl-3-(4-ethoxyphenyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

C688-1015 Screening compound: 1-benzyl-3-(4-ethoxyphenyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
C688-1015 Screening compound: 1-benzyl-3-(4-ethoxyphenyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-1015
1-benzyl-3-(4-ethoxyphenyl)[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

C688-1015

Molecular Formula

C25H20N2O3S (C25 H20 N2 O3 S)

Compound Name

1-benzyl-3-(4-ethoxyphenyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

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

SMILES

CCOc(cc1)ccc1N(C(c(sc1c2cccc1)c2N1Cc2ccccc2)=O)C1=O

InChI

InChI=1S/C25H20N2O3S/c1-2-30-19-14-12-18(13-15-19)27-24(28)23-22(20-10-6-7-11-21(20)31-23)26(25(27)29)16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3

InChI Key

MRTGJNIVJIRAMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.465

Distribution Coefficient, logD

5.465

Water Solubility, LogSw

-5.57

Polar Surface Area

39.683

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with C688-1015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1015?
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What is the minimum amount of C688-1015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1015
  • 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 C688-1015 available by request