C675-0040 Screening compound: 5-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-(4-methylphenyl)pentanamide

C675-0040 Screening compound: 5-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-(4-methylphenyl)pentanamide
C675-0040 Screening compound: 5-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-(4-methylphenyl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C675-0040
5-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-(4-methylphenyl)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

C675-0040

Molecular Formula

C23H24N4O3S (C23 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-(4-methylphenyl)pentanamide

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(CCCCN(C(c([nH]c(cc1)c2cc1OC)c2N1)=O)C1=S)=O

InChI

InChI=1S/C23H24N4O3S/c1-14-6-8-15(9-7-14)24-19(28)5-3-4-12-27-22(29)21-20(26-23(27)31)17-13-16(30-2)10-11-18(17)25-21/h6-11,13,25H,3-5,12H2,1-2H3,(H,24,28)(H,26,31)

InChI Key

RNZMNXVDZHFLCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.342

Distribution Coefficient, logD

3.341

Water Solubility, LogSw

-3.66

Polar Surface Area

65.948

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C675-0040 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 C675-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C675-0040?
Check Price and Availability of C675-0040, 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 C675-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C675-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C675-0040
  • 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 C675-0040 available by request