C200-3174 Screening compound: 2-{3-benzyl-5,8-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl}-N-[(furan-2-yl)methyl]acetamide

C200-3174 Screening compound: 2-{3-benzyl-5,8-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl}-N-[(furan-2-yl)methyl]acetamide
C200-3174 Screening compound: 2-{3-benzyl-5,8-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl}-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3174
2-{3-benzyl-5,8-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl}-N-[(furan-2-yl)methyl]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

C200-3174

Molecular Formula

C26H24N4O4 (C26 H24 N4 O4)

Compound Name

2-{3-benzyl-5,8-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl}-N-[(furan-2-yl)methyl]acetamide

IUPAC name

2-{3-benzyl-58-dimethyl-24-dioxo-1H2H3H4H5H-pyrimido[54-b]indol-1-yl}-N-[(furan-2-yl)methyl]acetamide

SMILES

Cc(cc1)cc2c1n(C)c(C(N1Cc3ccccc3)=O)c2N(CC(NCc2ccco2)=O)C1=O

InChI

InChI=1S/C26H24N4O4/c1-17-10-11-21-20(13-17)23-24(28(21)2)25(32)30(15-18-7-4-3-5-8-18)26(33)29(23)16-22(31)27-14-19-9-6-12-34-19/h3-13H,14-16H2,1-2H3,(H,27,31)

InChI Key

ZKLRARRBHUYOQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.248

Distribution Coefficient, logD

4.248

Water Solubility, LogSw

-4.32

Polar Surface Area

66.567

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C200-3174 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C200-3174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3174?
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What is the minimum amount of C200-3174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3174
  • 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 C200-3174 available by request