C659-0157 Screening compound: N-cyclohexyl-6-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-methylhexanamide

C659-0157 Screening compound: N-cyclohexyl-6-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-methylhexanamide
C659-0157 Screening compound: N-cyclohexyl-6-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-methylhexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C659-0157
N-cyclohexyl-6-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-methylhexanamide

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

C659-0157

Molecular Formula

C24H32N4O3S (C24 H32 N4 O3 S)

Compound Name

N-cyclohexyl-6-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-methylhexanamide

IUPAC name

N-cyclohexyl-6-{8-methoxy-4-oxo-2-sulfanylidene-1H2H3H4H5H-pyrimido[54-b]indol-3-yl}-N-methylhexanamide

SMILES

CN(C1CCCCC1)C(CCCCCN(C(c([nH]c(cc1)c2cc1OC)c2N1)=O)C1=S)=O

InChI

InChI=1S/C24H32N4O3S/c1-27(16-9-5-3-6-10-16)20(29)11-7-4-8-14-28-23(30)22-21(26-24(28)32)18-15-17(31-2)12-13-19(18)25-22/h12-13,15-16,25H,3-11,14H2,1-2H3,(H,26,32)

InChI Key

ZFQDCXUHQUSUQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14779842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.688

Distribution Coefficient, logD

3.688

Water Solubility, LogSw

-4.07

Polar Surface Area

57.745

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

C659-0157 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 C659-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C659-0157?
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What is the minimum amount of C659-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C659-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C659-0157
  • 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 C659-0157 available by request