M142-0014 Screening compound: methyl 4-[(2-{[8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetyl)amino]benzoate

M142-0014 Screening compound: methyl 4-[(2-{[8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetyl)amino]benzoate
M142-0014 Screening compound: methyl 4-[(2-{[8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M142-0014
methyl 4-[(2-{[8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetyl)amino]benzoate

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

M142-0014

Molecular Formula

C20H19N7O3S2 (C20 H19 N7 O3 S2)

Compound Name

methyl 4-[(2-{[8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetyl)amino]benzoate

IUPAC name

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

SMILES

COC(c(cc1)ccc1NC(CSc1nnc2n1cnc1c2sc(N2CCCC2)n1)=O)=O

InChI

InChI=1S/C20H19N7O3S2/c1-30-18(29)12-4-6-13(7-5-12)22-14(28)10-31-20-25-24-17-15-16(21-11-27(17)20)23-19(32-15)26-8-2-3-9-26/h4-7,11H,2-3,8-10H2,1H3,(H,22,28)

InChI Key

YOTMLTMGYIVPHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27532232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.297

Distribution Coefficient, logD

3.297

Water Solubility, LogSw

-3.62

Polar Surface Area

90.068

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

M142-0014 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with M142-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M142-0014?
Check Price and Availability of M142-0014, 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 M142-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M142-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M142-0014
  • 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 M142-0014 available by request