D365-0242 Screening compound: N-(4-bromophenyl)-2-({4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}sulfanyl)propanamide

D365-0242 Screening compound: N-(4-bromophenyl)-2-({4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}sulfanyl)propanamide
D365-0242 Screening compound: N-(4-bromophenyl)-2-({4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}sulfanyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D365-0242
N-(4-bromophenyl)-2-({4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-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

D365-0242

Molecular Formula

C16H16BrN3O2S (C16 H16 BrN3 O2 S)

Compound Name

N-(4-bromophenyl)-2-({4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}sulfanyl)propanamide

IUPAC name

N-(4-bromophenyl)-2-({4-oxo-3H4H5H6H7H-cyclopenta[d]pyrimidin-2-yl}sulfanyl)propanamide

SMILES

CC(C(Nc(cc1)ccc1Br)=O)SC(N1)=NC(CCC2)=C2C1=O

InChI

InChI=1S/C16H16BrN3O2S/c1-9(14(21)18-11-7-5-10(17)6-8-11)23-16-19-13-4-2-3-12(13)15(22)20-16/h5-9H,2-4H2,1H3,(H,18,21)(H,19,20,22)/t9-/m0/s1

InChI Key

HIUYOBFOTSVZGM-VIFPVBQESA-N

MDL Number (MFCD)

MFCD10088247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.29

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

3.035

Distribution Coefficient, logD

2.945

Water Solubility, LogSw

-3.52

Polar Surface Area

58.201

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

D365-0242 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D365-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D365-0242?
Check Price and Availability of D365-0242, 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 D365-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D365-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D365-0242
  • 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 D365-0242 available by request