C200-3311 Screening compound: 2-[5,8-dimethyl-3-(3-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C200-3311 Screening compound: 2-[5,8-dimethyl-3-(3-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
C200-3311 Screening compound: 2-[5,8-dimethyl-3-(3-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3311
2-[5,8-dimethyl-3-(3-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-[2-(trifluoromethyl)phenyl]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

C200-3311

Molecular Formula

C28H23F3N4O3 (C28 H23 F3 N4 O3)

Compound Name

2-[5,8-dimethyl-3-(3-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[58-dimethyl-3-(3-methylphenyl)-24-dioxo-1H2H3H4H5H-pyrimido[54-b]indol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

Cc(cc1)cc2c1n(C)c(C(N1c3cc(C)ccc3)=O)c2N(CC(Nc2c(C(F)(F)F)cccc2)=O)C1=O

InChI

InChI=1S/C28H23F3N4O3/c1-16-7-6-8-18(13-16)35-26(37)25-24(19-14-17(2)11-12-22(19)33(25)3)34(27(35)38)15-23(36)32-21-10-5-4-9-20(21)28(29,30)31/h4-14H,15H2,1-3H3,(H,32,36)

InChI Key

KOOZFASIXVERLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08568862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.212

Distribution Coefficient, logD

5.212

Water Solubility, LogSw

-5.02

Polar Surface Area

56.187

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

C200-3311 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer

References: we are preparing a list of scientific research reports with C200-3311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3311?
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What is the minimum amount of C200-3311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3311
  • 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 C200-3311 available by request