D365-0095 Screening compound: N-(4-bromophenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]propanamide

D365-0095 Screening compound: N-(4-bromophenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]propanamide
D365-0095 Screening compound: N-(4-bromophenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D365-0095
N-(4-bromophenyl)-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

D365-0095

Molecular Formula

C17H18BrN3O2S (C17 H18 BrN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(Nc(cc1)ccc1Br)=O)SC(N1)=NC(CCCC2)=C2C1=O

InChI

InChI=1S/C17H18BrN3O2S/c1-10(15(22)19-12-8-6-11(18)7-9-12)24-17-20-14-5-3-2-4-13(14)16(23)21-17/h6-10H,2-5H2,1H3,(H,19,22)(H,20,21,23)/t10-/m0/s1

InChI Key

MHPFIWHCJVXVAY-JTQLQIEISA-N

MDL Number (MFCD)

MFCD09057441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.545

Distribution Coefficient, logD

3.455

Water Solubility, LogSw

-3.80

Polar Surface Area

57.835

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

D365-0095 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D365-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D365-0095?
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What is the minimum amount of D365-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D365-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D365-0095
  • 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 D365-0095 available by request