C676-0196 Screening compound: N-butyl-2-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-methylacetamide

C676-0196 Screening compound: N-butyl-2-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-methylacetamide
C676-0196 Screening compound: N-butyl-2-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C676-0196
N-butyl-2-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-methylacetamide

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

C676-0196

Molecular Formula

C18H22N4O3S (C18 H22 N4 O3 S)

Compound Name

N-butyl-2-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-methylacetamide

IUPAC name

N-butyl-2-{8-methoxy-4-oxo-2-sulfanylidene-1H2H3H4H5H-pyrimido[54-b]indol-3-yl}-N-methylacetamide

SMILES

CCCCN(C)C(CN(C(c([nH]c(cc1)c2cc1OC)c2N1)=O)C1=S)=O

InChI

InChI=1S/C18H22N4O3S/c1-4-5-8-21(2)14(23)10-22-17(24)16-15(20-18(22)26)12-9-11(25-3)6-7-13(12)19-16/h6-7,9,19H,4-5,8,10H2,1-3H3,(H,20,26)

InChI Key

LKXFBQLMPQRCIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.758

Distribution Coefficient, logD

1.758

Water Solubility, LogSw

-2.65

Polar Surface Area

58.964

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

C676-0196 in Drug Discovery

Included in Screening Libraries

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 C676-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C676-0196?
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What is the minimum amount of C676-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C676-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C676-0196
  • 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 C676-0196 available by request