C200-0626 Screening compound: methyl 2-{2-[3-(3,4-dimethylphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamido}benzoate

C200-0626 Screening compound: methyl 2-{2-[3-(3,4-dimethylphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamido}benzoate
C200-0626 Screening compound: methyl 2-{2-[3-(3,4-dimethylphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-0626
methyl 2-{2-[3-(3,4-dimethylphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamido}benzoate

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

C200-0626

Molecular Formula

C26H25N3O5S (C26 H25 N3 O5 S)

Compound Name

methyl 2-{2-[3-(3,4-dimethylphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamido}benzoate

IUPAC name

methyl 2-{2-[3-(34-dimethylphenyl)-56-dimethyl-24-dioxo-1H2H3H4H-thieno[23-d]pyrimidin-1-yl]acetamido}benzoate

SMILES

Cc1c(C)sc(N(CC(Nc(cccc2)c2C(OC)=O)=O)C(N2c3cc(C)c(C)cc3)=O)c1C2=O

InChI

InChI=1S/C26H25N3O5S/c1-14-10-11-18(12-15(14)2)29-23(31)22-16(3)17(4)35-24(22)28(26(29)33)13-21(30)27-20-9-7-6-8-19(20)25(32)34-5/h6-12H,13H2,1-5H3,(H,27,30)

InChI Key

LCRVUOYJPJANCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.862

Distribution Coefficient, logD

4.854

Water Solubility, LogSw

-4.57

Polar Surface Area

74.732

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C200-0626 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 C200-0626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-0626?
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What is the minimum amount of C200-0626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-0626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-0626
  • 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 C200-0626 available by request