M191-0070 Screening compound: 2-({4-oxo-3-[3-(propan-2-yloxy)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide

M191-0070 Screening compound: 2-({4-oxo-3-[3-(propan-2-yloxy)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide
M191-0070 Screening compound: 2-({4-oxo-3-[3-(propan-2-yloxy)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M191-0070
2-({4-oxo-3-[3-(propan-2-yloxy)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-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

M191-0070

Molecular Formula

C18H22N6O3S (C18 H22 N6 O3 S)

Compound Name

2-({4-oxo-3-[3-(propan-2-yloxy)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide

IUPAC name

2-({4-oxo-3-[3-(propan-2-yloxy)propyl]-34-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-124-triazol-3-yl)acetamide

SMILES

CC(C)OCCCN1C(SCC(Nc2nnc[nH]2)=O)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C18H22N6O3S/c1-12(2)27-9-5-8-24-16(26)13-6-3-4-7-14(13)21-18(24)28-10-15(25)22-17-19-11-20-23-17/h3-4,6-7,11-12H,5,8-10H2,1-2H3,(H2,19,20,22,23,25)

InChI Key

OUAGUDSMTMBNLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15141360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.345

Distribution Coefficient, logD

0.330

Water Solubility, LogSw

-2.39

Polar Surface Area

93.209

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

M191-0070 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with M191-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M191-0070?
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What is the minimum amount of M191-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M191-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M191-0070
  • 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 M191-0070 available by request