D467-0094 Screening compound: N-(4-methoxyphenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]propanamide

D467-0094 Screening compound: N-(4-methoxyphenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]propanamide
D467-0094 Screening compound: N-(4-methoxyphenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D467-0094
N-(4-methoxyphenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]propanamide

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

D467-0094

Molecular Formula

C18H21N3O3S (C18 H21 N3 O3 S)

Compound Name

N-(4-methoxyphenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]propanamide

IUPAC name

N-(4-methoxyphenyl)-2-[(4-oxo-345678-hexahydroquinazolin-2-yl)sulfanyl]propanamide

SMILES

CC(C(Nc(cc1)ccc1OC)=O)SC(N1)=NC(CCCC2)=C2C1=O

InChI

InChI=1S/C18H21N3O3S/c1-11(16(22)19-12-7-9-13(24-2)10-8-12)25-18-20-15-6-4-3-5-14(15)17(23)21-18/h7-11H,3-6H2,1-2H3,(H,19,22)(H,20,21,23)/t11-/m0/s1

InChI Key

RYYIKKPIRGOUQN-NSHDSACASA-N

MDL Number (MFCD)

MFCD10042682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.693

Distribution Coefficient, logD

2.604

Water Solubility, LogSw

-3.21

Polar Surface Area

65.378

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

D467-0094 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D467-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D467-0094?
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What is the minimum amount of D467-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D467-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D467-0094
  • 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 D467-0094 available by request