C688-1495 Screening compound: N~1~-cyclohexyl-2-[3-(3-fluoro-4-methylphenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide

C688-1495 Screening compound: N~1~-cyclohexyl-2-[3-(3-fluoro-4-methylphenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide
C688-1495 Screening compound: N~1~-cyclohexyl-2-[3-(3-fluoro-4-methylphenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-1495
N~1~-cyclohexyl-2-[3-(3-fluoro-4-methylphenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]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

C688-1495

Molecular Formula

C25H24FN3O3S (C25 H24 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(N(C(c(sc1c2cccc1)c2N1CC(NC2CCCCC2)=O)=O)C1=O)c1)c1F

InChI

InChI=1S/C25H24FN3O3S/c1-15-11-12-17(13-19(15)26)29-24(31)23-22(18-9-5-6-10-20(18)33-23)28(25(29)32)14-21(30)27-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,27,30)

InChI Key

ICVCUJVYWTXING-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.962

Distribution Coefficient, logD

4.962

Water Solubility, LogSw

-4.79

Polar Surface Area

56.756

Acid Dissociation Constant (pKa)

15.90

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C688-1495 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C688-1495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1495?
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What is the minimum amount of C688-1495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1495
  • 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 C688-1495 available by request