C200-4012 Screening compound: 2-[3-(3-chlorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(2,4-dimethoxyphenyl)acetamide

C200-4012 Screening compound: 2-[3-(3-chlorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(2,4-dimethoxyphenyl)acetamide
C200-4012 Screening compound: 2-[3-(3-chlorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(2,4-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4012
2-[3-(3-chlorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(2,4-dimethoxyphenyl)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

C200-4012

Molecular Formula

C26H20ClN3O5S (C26 H20 ClN3 O5 S)

Compound Name

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

IUPAC name

2-[5-(3-chlorophenyl)-46-dioxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-3-yl]-N-(24-dimethoxyphenyl)acetamide

SMILES

COc(cc1)cc(OC)c1NC(CN(c1c(C(N2c3cccc(Cl)c3)=O)sc3c1cccc3)C2=O)=O

InChI

InChI=1S/C26H20ClN3O5S/c1-34-17-10-11-19(20(13-17)35-2)28-22(31)14-29-23-18-8-3-4-9-21(18)36-24(23)25(32)30(26(29)33)16-7-5-6-15(27)12-16/h3-13H,14H2,1-2H3,(H,28,31)

InChI Key

KQFQBAAVXFVEAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.887

Distribution Coefficient, logD

4.887

Water Solubility, LogSw

-4.90

Polar Surface Area

70.185

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

C200-4012 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 C200-4012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4012?
Check Price and Availability of C200-4012, 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 C200-4012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4012
  • 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 C200-4012 available by request