C688-1519 Screening compound: N~1~-(2,5-dimethylphenyl)-2-[3-(3-fluoro-4-methylphenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide

C688-1519 Screening compound: N~1~-(2,5-dimethylphenyl)-2-[3-(3-fluoro-4-methylphenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide
C688-1519 Screening compound: N~1~-(2,5-dimethylphenyl)-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 C688-1519
N~1~-(2,5-dimethylphenyl)-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

C688-1519

Molecular Formula

C27H22FN3O3S (C27 H22 FN3 O3 S)

Compound Name

N~1~-(2,5-dimethylphenyl)-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-(25-dimethylphenyl)-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

Cc1cc(NC(CN(c2c(C(N3c4cc(F)c(C)cc4)=O)sc4c2cccc4)C3=O)=O)c(C)cc1

InChI

InChI=1S/C27H22FN3O3S/c1-15-8-9-17(3)21(12-15)29-23(32)14-30-24-19-6-4-5-7-22(19)35-25(24)26(33)31(27(30)34)18-11-10-16(2)20(28)13-18/h4-13H,14H2,1-3H3,(H,29,32)

InChI Key

SNQIBLAOQVTYOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.55

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

5.205

Distribution Coefficient, logD

5.205

Water Solubility, LogSw

-5.16

Polar Surface Area

55.011

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

C688-1519 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C688-1519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1519?
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What is the minimum amount of C688-1519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1519
  • 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 C688-1519 available by request