M060-0465 Screening compound: 2-({8-bromo-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-N-(4-ethoxyphenyl)acetamide

M060-0465 Screening compound: 2-({8-bromo-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-N-(4-ethoxyphenyl)acetamide
M060-0465 Screening compound: 2-({8-bromo-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-N-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M060-0465
2-({8-bromo-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-N-(4-ethoxyphenyl)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

M060-0465

Molecular Formula

C20H17BrN4O2S (C20 H17 BrN4 O2 S)

Compound Name

2-({8-bromo-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-N-(4-ethoxyphenyl)acetamide

IUPAC name

2-({8-bromo-5H-pyrimido[54-b]indol-4-yl}sulfanyl)-N-(4-ethoxyphenyl)acetamide

SMILES

CCOc(cc1)ccc1NC(CSc1c2[nH]c(ccc(Br)c3)c3c2ncn1)=O

InChI

InChI=1S/C20H17BrN4O2S/c1-2-27-14-6-4-13(5-7-14)24-17(26)10-28-20-19-18(22-11-23-20)15-9-12(21)3-8-16(15)25-19/h3-9,11,25H,2,10H2,1H3,(H,24,26)

InChI Key

RCIAGPRIBMZMRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.483

Distribution Coefficient, logD

4.482

Water Solubility, LogSw

-4.25

Polar Surface Area

60.773

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

4.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

M060-0465 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with M060-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M060-0465?
Check Price and Availability of M060-0465, 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 M060-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M060-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M060-0465
  • 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 M060-0465 available by request