C675-0003 Screening compound: N-[(furan-2-yl)methyl]-5-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}pentanamide

C675-0003 Screening compound: N-[(furan-2-yl)methyl]-5-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}pentanamide
C675-0003 Screening compound: N-[(furan-2-yl)methyl]-5-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C675-0003
N-[(furan-2-yl)methyl]-5-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}pentanamide

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

C675-0003

Molecular Formula

C21H22N4O4S (C21 H22 N4 O4 S)

Compound Name

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

IUPAC name

N-[(furan-2-yl)methyl]-5-{8-methoxy-4-oxo-2-sulfanylidene-1H2H3H4H5H-pyrimido[54-b]indol-3-yl}pentanamide

SMILES

COc(cc1)cc2c1[nH]c(C(N1CCCCC(NCc3ccco3)=O)=O)c2NC1=S

InChI

InChI=1S/C21H22N4O4S/c1-28-13-7-8-16-15(11-13)18-19(23-16)20(27)25(21(30)24-18)9-3-2-6-17(26)22-12-14-5-4-10-29-14/h4-5,7-8,10-11,23H,2-3,6,9,12H2,1H3,(H,22,26)(H,24,30)

InChI Key

DCVSMRJZEDALNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.369

Distribution Coefficient, logD

2.369

Water Solubility, LogSw

-2.98

Polar Surface Area

75.019

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C675-0003 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 C675-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C675-0003?
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What is the minimum amount of C675-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C675-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C675-0003
  • 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 C675-0003 available by request