C675-0014 Screening compound: 5-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-propylpentanamide

C675-0014 Screening compound: 5-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-propylpentanamide
C675-0014 Screening compound: 5-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-propylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C675-0014
5-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-propylpentanamide

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

C675-0014

Molecular Formula

C19H24N4O3S (C19 H24 N4 O3 S)

Compound Name

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

IUPAC name

5-{8-methoxy-4-oxo-2-sulfanylidene-1H2H3H4H5H-pyrimido[54-b]indol-3-yl}-N-propylpentanamide

SMILES

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

InChI

InChI=1S/C19H24N4O3S/c1-3-9-20-15(24)6-4-5-10-23-18(25)17-16(22-19(23)27)13-11-12(26-2)7-8-14(13)21-17/h7-8,11,21H,3-6,9-10H2,1-2H3,(H,20,24)(H,22,27)

InChI Key

HBKBWJDCORBYLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.685

Distribution Coefficient, logD

1.685

Water Solubility, LogSw

-2.50

Polar Surface Area

67.383

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

C675-0014 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C675-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C675-0014?
Check Price and Availability of C675-0014, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C675-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C675-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C675-0014
  • 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 C675-0014 available by request