C200-2321 Screening compound: 4-({8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}methyl)-N-[(4-methoxyphenyl)methyl]benzamide

C200-2321 Screening compound: 4-({8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}methyl)-N-[(4-methoxyphenyl)methyl]benzamide
C200-2321 Screening compound: 4-({8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}methyl)-N-[(4-methoxyphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2321
4-({8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}methyl)-N-[(4-methoxyphenyl)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

C200-2321

Molecular Formula

C27H24N4O4S (C27 H24 N4 O4 S)

Compound Name

4-({8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}methyl)-N-[(4-methoxyphenyl)methyl]benzamide

IUPAC name

4-({8-methoxy-4-oxo-2-sulfanylidene-1H2H3H4H5H-pyrimido[54-b]indol-3-yl}methyl)-N-[(4-methoxyphenyl)methyl]benzamide

SMILES

COc1ccc(CNC(c2ccc(CN(C(c([nH]c(cc3)c4cc3OC)c4N3)=O)C3=S)cc2)=O)cc1

InChI

InChI=1S/C27H24N4O4S/c1-34-19-9-5-16(6-10-19)14-28-25(32)18-7-3-17(4-8-18)15-31-26(33)24-23(30-27(31)36)21-13-20(35-2)11-12-22(21)29-24/h3-13,29H,14-15H2,1-2H3,(H,28,32)(H,30,36)

InChI Key

QMFIHXPTGGKYLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.694

Distribution Coefficient, logD

3.694

Water Solubility, LogSw

-4.24

Polar Surface Area

74.777

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

C200-2321 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 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 C200-2321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2321?
Check Price and Availability of C200-2321, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C200-2321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2321
  • 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 C200-2321 available by request