C200-2320 Screening compound: N-[(4-chlorophenyl)methyl]-4-({8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}methyl)benzamide

C200-2320 Screening compound: N-[(4-chlorophenyl)methyl]-4-({8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}methyl)benzamide
C200-2320 Screening compound: N-[(4-chlorophenyl)methyl]-4-({8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2320
N-[(4-chlorophenyl)methyl]-4-({8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}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

C200-2320

Molecular Formula

C26H21ClN4O3S (C26 H21 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc2c1[nH]c(C(N1Cc(cc3)ccc3C(NCc(cc3)ccc3Cl)=O)=O)c2NC1=S

InChI

InChI=1S/C26H21ClN4O3S/c1-34-19-10-11-21-20(12-19)22-23(29-21)25(33)31(26(35)30-22)14-16-2-6-17(7-3-16)24(32)28-13-15-4-8-18(27)9-5-15/h2-12,29H,13-14H2,1H3,(H,28,32)(H,30,35)

InChI Key

PURZHUFNOBECOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05899662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.307

Distribution Coefficient, logD

4.306

Water Solubility, LogSw

-4.65

Polar Surface Area

67.233

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

C200-2320 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C200-2320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2320?
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What is the minimum amount of C200-2320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2320
  • 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 C200-2320 available by request