F396-1070 Screening compound: 2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-(4-chlorophenyl)acetamide

F396-1070 Screening compound: 2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-(4-chlorophenyl)acetamide
F396-1070 Screening compound: 2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-(4-chlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F396-1070
2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-(4-chlorophenyl)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

F396-1070

Molecular Formula

C21H19ClN4O2S2 (C21 H19 ClN4 O2 S2)

Compound Name

2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-(4-chlorophenyl)acetamide

IUPAC name

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

SMILES

CCCCN(C1=O)C(SCC(Nc(cc2)ccc2Cl)=O)=Nc2c1sc1c2cccn1

InChI

InChI=1S/C21H19ClN4O2S2/c1-2-3-11-26-20(28)18-17(15-5-4-10-23-19(15)30-18)25-21(26)29-12-16(27)24-14-8-6-13(22)7-9-14/h4-10H,2-3,11-12H2,1H3,(H,24,27)

InChI Key

MAYDXEFVUPDEIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.908

Distribution Coefficient, logD

4.908

Water Solubility, LogSw

-4.88

Polar Surface Area

57.071

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with F396-1070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F396-1070?
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What is the minimum amount of F396-1070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F396-1070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F396-1070
  • 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 F396-1070 available by request