M447-0068 Screening compound: N~1~-(4-chlorobenzyl)-2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

M447-0068 Screening compound: N~1~-(4-chlorobenzyl)-2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
M447-0068 Screening compound: N~1~-(4-chlorobenzyl)-2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M447-0068
N~1~-(4-chlorobenzyl)-2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]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

M447-0068

Molecular Formula

C19H18ClN7O2S (C19 H18 ClN7 O2 S)

Compound Name

N~1~-(4-chlorobenzyl)-2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

IUPAC name

N-[(4-chlorophenyl)methyl]-2-[5-oxo-11-(pyrrolidin-1-yl)-12-thia-346810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)2710-tetraen-4-yl]acetamide

SMILES

O=C(CN1N=C(c(sc(N2CCCC2)n2)c2N=C2)N2C1=O)NCc(cc1)ccc1Cl

InChI

InChI=1S/C19H18ClN7O2S/c20-13-5-3-12(4-6-13)9-21-14(28)10-27-19(29)26-11-22-16-15(17(26)24-27)30-18(23-16)25-7-1-2-8-25/h3-6,11H,1-2,7-10H2,(H,21,28)

InChI Key

CLTWZPSLVUVPPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.034

Distribution Coefficient, logD

3.032

Water Solubility, LogSw

-3.62

Polar Surface Area

80.374

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

4.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with M447-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M447-0068?
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What is the minimum amount of M447-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M447-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M447-0068
  • 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 M447-0068 available by request