C200-3257 Screening compound: 2-[3-(3-chlorophenyl)-8-methoxy-5-methyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide

C200-3257 Screening compound: 2-[3-(3-chlorophenyl)-8-methoxy-5-methyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
C200-3257 Screening compound: 2-[3-(3-chlorophenyl)-8-methoxy-5-methyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3257
2-[3-(3-chlorophenyl)-8-methoxy-5-methyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-(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

C200-3257

Molecular Formula

C28H25ClN4O6 (C28 H25 ClN4 O6)

Compound Name

2-[3-(3-chlorophenyl)-8-methoxy-5-methyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide

IUPAC name

2-[3-(3-chlorophenyl)-8-methoxy-5-methyl-24-dioxo-1H2H3H4H5H-pyrimido[54-b]indol-1-yl]-N-(24-dimethoxyphenyl)acetamide

SMILES

Cn(c(cc1)c2cc1OC)c(C(N1c3cccc(Cl)c3)=O)c2N(CC(Nc(ccc(OC)c2)c2OC)=O)C1=O

InChI

InChI=1S/C28H25ClN4O6/c1-31-22-11-9-18(37-2)13-20(22)25-26(31)27(35)33(17-7-5-6-16(29)12-17)28(36)32(25)15-24(34)30-21-10-8-19(38-3)14-23(21)39-4/h5-14H,15H2,1-4H3,(H,30,34)

InChI Key

ZQIWDVBMIXNWKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.153

Distribution Coefficient, logD

4.153

Water Solubility, LogSw

-4.44

Polar Surface Area

78.905

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

C200-3257 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 C200-3257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3257?
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What is the minimum amount of C200-3257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3257
  • 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 C200-3257 available by request