C688-0964 Screening compound: N~1~-(3,4-dimethylphenyl)-2-[3-(3-methoxyphenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide

C688-0964 Screening compound: N~1~-(3,4-dimethylphenyl)-2-[3-(3-methoxyphenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide
C688-0964 Screening compound: N~1~-(3,4-dimethylphenyl)-2-[3-(3-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 C688-0964
N~1~-(3,4-dimethylphenyl)-2-[3-(3-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

C688-0964

Molecular Formula

C27H23N3O4S (C27 H23 N3 O4 S)

Compound Name

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

IUPAC name

N-(34-dimethylphenyl)-2-[5-(3-methoxyphenyl)-46-dioxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-3-yl]acetamide

SMILES

Cc(cc1)c(C)cc1NC(CN(c1c(C(N2c3cc(OC)ccc3)=O)sc3c1cccc3)C2=O)=O

InChI

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

InChI Key

MJHJSKDSTWKTJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783003

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

5.654

Distribution Coefficient, logD

5.654

Water Solubility, LogSw

-5.59

Polar Surface Area

63.253

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

C688-0964 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 C688-0964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-0964?
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What is the minimum amount of C688-0964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-0964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-0964
  • 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 C688-0964 available by request