M142-0044 Screening compound: N~1~-(4-ethylphenyl)-2-{[8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide

M142-0044 Screening compound: N~1~-(4-ethylphenyl)-2-{[8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
M142-0044 Screening compound: N~1~-(4-ethylphenyl)-2-{[8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M142-0044
N~1~-(4-ethylphenyl)-2-{[8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-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

M142-0044

Molecular Formula

C20H21N7OS2 (C20 H21 N7 OS2)

Compound Name

N~1~-(4-ethylphenyl)-2-{[8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide

IUPAC name

N-(4-ethylphenyl)-2-{[11-(pyrrolidin-1-yl)-12-thia-346810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24710-pentaen-5-yl]sulfanyl}acetamide

SMILES

CCc(cc1)ccc1NC(CSc1nnc2n1cnc1c2sc(N2CCCC2)n1)=O

InChI

InChI=1S/C20H21N7OS2/c1-2-13-5-7-14(8-6-13)22-15(28)11-29-20-25-24-18-16-17(21-12-27(18)20)23-19(30-16)26-9-3-4-10-26/h5-8,12H,2-4,9-11H2,1H3,(H,22,28)

InChI Key

OMGMRMZPDJYBPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27532242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.137

Distribution Coefficient, logD

4.137

Water Solubility, LogSw

-3.90

Polar Surface Area

68.894

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with M142-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M142-0044?
Check Price and Availability of M142-0044, 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 M142-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M142-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M142-0044
  • 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 M142-0044 available by request