C688-1362 Screening compound: N~1~-(2,5-dimethylphenyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide

C688-1362 Screening compound: N~1~-(2,5-dimethylphenyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide
C688-1362 Screening compound: N~1~-(2,5-dimethylphenyl)-2-[3-(4-methoxyphenyl)-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 C688-1362
N~1~-(2,5-dimethylphenyl)-2-[3-(4-methoxyphenyl)-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

C688-1362

Molecular Formula

C27H23N3O4S (C27 H23 N3 O4 S)

Compound Name

N~1~-(2,5-dimethylphenyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide

IUPAC name

N-(25-dimethylphenyl)-2-[5-(4-methoxyphenyl)-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(N3c(cc4)ccc4OC)=O)sc4c2cccc4)C3=O)=O)c(C)cc1

InChI

InChI=1S/C27H23N3O4S/c1-16-8-9-17(2)21(14-16)28-23(31)15-29-24-20-6-4-5-7-22(20)35-25(24)26(32)30(27(29)33)18-10-12-19(34-3)13-11-18/h4-14H,15H2,1-3H3,(H,28,31)

InChI Key

ZMALVOBCTYGJSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.526

Distribution Coefficient, logD

4.526

Water Solubility, LogSw

-4.31

Polar Surface Area

62.555

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

C688-1362 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 C688-1362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1362?
Check Price and Availability of C688-1362, 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 C688-1362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1362
  • 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 C688-1362 available by request