C659-0132 Screening compound: 1-(6-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}hexanoyl)piperidine-4-carboxamide

C659-0132 Screening compound: 1-(6-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}hexanoyl)piperidine-4-carboxamide
C659-0132 Screening compound: 1-(6-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}hexanoyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C659-0132
1-(6-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}hexanoyl)piperidine-4-carboxamide

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

C659-0132

Molecular Formula

C23H29N5O4S (C23 H29 N5 O4 S)

Compound Name

1-(6-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}hexanoyl)piperidine-4-carboxamide

IUPAC name

1-(6-{8-methoxy-4-oxo-2-sulfanylidene-1H2H3H4H5H-pyrimido[54-b]indol-3-yl}hexanoyl)piperidine-4-carboxamide

SMILES

COc(cc1)cc2c1[nH]c(C(N1CCCCCC(N(CC3)CCC3C(N)=O)=O)=O)c2NC1=S

InChI

InChI=1S/C23H29N5O4S/c1-32-15-6-7-17-16(13-15)19-20(25-17)22(31)28(23(33)26-19)10-4-2-3-5-18(29)27-11-8-14(9-12-27)21(24)30/h6-7,13-14,25H,2-5,8-12H2,1H3,(H2,24,30)(H,26,33)

InChI Key

BSSWQKHPFOFULI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05899739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.199

Distribution Coefficient, logD

1.199

Water Solubility, LogSw

-2.37

Polar Surface Area

93.250

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

C659-0132 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C659-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C659-0132?
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What is the minimum amount of C659-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C659-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C659-0132
  • 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 C659-0132 available by request