M142-0057 Screening compound: N~1~-(2-chloro-4-methylphenyl)-2-{[8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide

M142-0057 Screening compound: N~1~-(2-chloro-4-methylphenyl)-2-{[8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
M142-0057 Screening compound: N~1~-(2-chloro-4-methylphenyl)-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 M142-0057
N~1~-(2-chloro-4-methylphenyl)-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

M142-0057

Molecular Formula

C19H18ClN7OS2 (C19 H18 ClN7 OS2)

Compound Name

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

SMILES

Cc(cc1)cc(Cl)c1NC(CSc1nnc2n1cnc1c2sc(N2CCCC2)n1)=O

InChI

InChI=1S/C19H18ClN7OS2/c1-11-4-5-13(12(20)8-11)22-14(28)9-29-19-25-24-17-15-16(21-10-27(17)19)23-18(30-15)26-6-2-3-7-26/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,22,28)

InChI Key

BLKDEIHHXGMWTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27532246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.930

Distribution Coefficient, logD

3.930

Water Solubility, LogSw

-4.05

Polar Surface Area

68.196

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

M142-0057 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M142-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M142-0057?
Check Price and Availability of M142-0057, 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 M142-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M142-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M142-0057
  • 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 M142-0057 available by request