C688-1146 Screening compound: 2-[3-(4-ethylphenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(4-methylphenyl)acetamide

C688-1146 Screening compound: 2-[3-(4-ethylphenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(4-methylphenyl)acetamide
C688-1146 Screening compound: 2-[3-(4-ethylphenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-1146
2-[3-(4-ethylphenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(4-methylphenyl)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

C688-1146

Molecular Formula

C27H23N3O3S (C27 H23 N3 O3 S)

Compound Name

2-[3-(4-ethylphenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(4-methylphenyl)acetamide

IUPAC name

2-[5-(4-ethylphenyl)-46-dioxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-3-yl]-N-(4-methylphenyl)acetamide

SMILES

CCc(cc1)ccc1N(C(c(sc1c2cccc1)c2N1CC(Nc2ccc(C)cc2)=O)=O)C1=O

InChI

InChI=1S/C27H23N3O3S/c1-3-18-10-14-20(15-11-18)30-26(32)25-24(21-6-4-5-7-22(21)34-25)29(27(30)33)16-23(31)28-19-12-8-17(2)9-13-19/h4-15H,3,16H2,1-2H3,(H,28,31)

InChI Key

LQHMGUQSYFCLNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.856

Distribution Coefficient, logD

5.856

Water Solubility, LogSw

-5.62

Polar Surface Area

55.709

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with C688-1146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1146?
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What is the minimum amount of C688-1146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1146
  • 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 C688-1146 available by request