F396-0921 Screening compound: N~1~-isopentyl-2-{[4-oxo-3-(2-phenylpropyl)-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

F396-0921 Screening compound: N~1~-isopentyl-2-{[4-oxo-3-(2-phenylpropyl)-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
F396-0921 Screening compound: N~1~-isopentyl-2-{[4-oxo-3-(2-phenylpropyl)-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F396-0921
N~1~-isopentyl-2-{[4-oxo-3-(2-phenylpropyl)-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}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

F396-0921

Molecular Formula

C25H28N4O2S2 (C25 H28 N4 O2 S2)

Compound Name

N~1~-isopentyl-2-{[4-oxo-3-(2-phenylpropyl)-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-(3-methylbutyl)-2-{[6-oxo-5-(2-phenylpropyl)-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-4-yl]sulfanyl}acetamide

SMILES

CC(C)CCNC(CSC(N(CC(C)c1ccccc1)C1=O)=Nc2c1sc1ncccc12)=O

InChI

InChI=1S/C25H28N4O2S2/c1-16(2)11-13-26-20(30)15-32-25-28-21-19-10-7-12-27-23(19)33-22(21)24(31)29(25)14-17(3)18-8-5-4-6-9-18/h4-10,12,16-17H,11,13-15H2,1-3H3,(H,26,30)/t17-/m0/s1

InChI Key

ITJMFTHOWIWZCD-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27123054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.079

Distribution Coefficient, logD

5.079

Water Solubility, LogSw

-4.90

Polar Surface Area

58.256

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

F396-0921 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F396-0921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F396-0921?
Check Price and Availability of F396-0921, 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 F396-0921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F396-0921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F396-0921
  • 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 F396-0921 available by request