M142-0046 Screening compound: N~1~-(2-chloro-4-fluorophenyl)-2-{[8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide

M142-0046 Screening compound: N~1~-(2-chloro-4-fluorophenyl)-2-{[8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
M142-0046 Screening compound: N~1~-(2-chloro-4-fluorophenyl)-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 M142-0046
N~1~-(2-chloro-4-fluorophenyl)-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

M142-0046

Molecular Formula

C18H15ClFN7OS2 (C18 H15 ClFN7 OS2)

Compound Name

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

SMILES

O=C(CSc1nnc2n1cnc1c2sc(N2CCCC2)n1)Nc(ccc(F)c1)c1Cl

InChI

InChI=1S/C18H15ClFN7OS2/c19-11-7-10(20)3-4-12(11)22-13(28)8-29-18-25-24-16-14-15(21-9-27(16)18)23-17(30-14)26-5-1-2-6-26/h3-4,7,9H,1-2,5-6,8H2,(H,22,28)

InChI Key

CVYYKOULZLXJSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27532243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.95

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

3.639

Distribution Coefficient, logD

3.632

Water Solubility, LogSw

-3.79

Polar Surface Area

68.196

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

M142-0046 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M142-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M142-0046?
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What is the minimum amount of M142-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M142-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M142-0046
  • 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 M142-0046 available by request