C200-8043 Screening compound: 4-[(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide

C200-8043 Screening compound: 4-[(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
C200-8043 Screening compound: 4-[(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8043
4-[(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide

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

C200-8043

Molecular Formula

C26H25N3O5S (C26 H25 N3 O5 S)

Compound Name

4-[(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide

IUPAC name

4-[(67-dimethoxy-24-dioxo-1234-tetrahydroquinazolin-3-yl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide

SMILES

COc(c(OC)c1)cc(C(N2Cc(cc3)ccc3C(NCc(cc3)ccc3SC)=O)=O)c1NC2=O

InChI

InChI=1S/C26H25N3O5S/c1-33-22-12-20-21(13-23(22)34-2)28-26(32)29(25(20)31)15-17-4-8-18(9-5-17)24(30)27-14-16-6-10-19(35-3)11-7-16/h4-13H,14-15H2,1-3H3,(H,27,30)(H,28,32)

InChI Key

LTQADFITXORXKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11998917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.841

Distribution Coefficient, logD

3.836

Water Solubility, LogSw

-4.09

Polar Surface Area

80.154

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C200-8043 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C200-8043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8043?
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What is the minimum amount of C200-8043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8043
  • 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 C200-8043 available by request