C675-0065 Screening compound: 5-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-(4-methoxyphenyl)pentanamide

C675-0065 Screening compound: 5-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-(4-methoxyphenyl)pentanamide
C675-0065 Screening compound: 5-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-(4-methoxyphenyl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C675-0065
5-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-(4-methoxyphenyl)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

C675-0065

Molecular Formula

C23H24N4O4S (C23 H24 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H24N4O4S/c1-30-15-8-6-14(7-9-15)24-19(28)5-3-4-12-27-22(29)21-20(26-23(27)32)17-13-16(31-2)10-11-18(17)25-21/h6-11,13,25H,3-5,12H2,1-2H3,(H,24,28)(H,26,32)

InChI Key

MMUXGLJHNWFNAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.53

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

2.901

Distribution Coefficient, logD

2.900

Water Solubility, LogSw

-3.56

Polar Surface Area

73.491

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

3.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C675-0065 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 C675-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C675-0065?
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What is the minimum amount of C675-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C675-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C675-0065
  • 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 C675-0065 available by request