C145-0417 Screening compound: 2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide

C145-0417 Screening compound: 2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
C145-0417 Screening compound: 2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C145-0417
2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide

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

C145-0417

Molecular Formula

C18H13ClN4O2S (C18 H13 ClN4 O2 S)

Compound Name

2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide

IUPAC name

2-{[3-(3-chlorophenyl)-4-oxo-3H4H5H-pyrimido[54-b]indol-2-yl]sulfanyl}acetamide

SMILES

NC(CSC(N(c1cccc(Cl)c1)C1=O)=Nc2c1[nH]c1c2cccc1)=O

InChI

InChI=1S/C18H13ClN4O2S/c19-10-4-3-5-11(8-10)23-17(25)16-15(22-18(23)26-9-14(20)24)12-6-1-2-7-13(12)21-16/h1-8,21H,9H2,(H2,20,24)

InChI Key

OULUUWQWSSLLNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04458495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.526

Distribution Coefficient, logD

2.526

Water Solubility, LogSw

-3.47

Polar Surface Area

66.777

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

C145-0417 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C145-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C145-0417?
Check Price and Availability of C145-0417, 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 C145-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C145-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C145-0417
  • 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 C145-0417 available by request