8640-0140 Screening compound: N~1~-(4-bromophenyl)-2-[(3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

8640-0140 Screening compound: N~1~-(4-bromophenyl)-2-[(3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
8640-0140 Screening compound: N~1~-(4-bromophenyl)-2-[(3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0140
N~1~-(4-bromophenyl)-2-[(3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-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

8640-0140

Molecular Formula

C20H21BrN4O2S2 (C20 H21 BrN4 O2 S2)

Compound Name

N~1~-(4-bromophenyl)-2-[(3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

IUPAC name

N-(4-bromophenyl)-2-({4-ethyl-11-methyl-3-oxo-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl}sulfanyl)acetamide

SMILES

CCN1C(SCC(Nc(cc2)ccc2Br)=O)=Nc(sc2c3CCN(C)C2)c3C1=O

InChI

InChI=1S/C20H21BrN4O2S2/c1-3-25-19(27)17-14-8-9-24(2)10-15(14)29-18(17)23-20(25)28-11-16(26)22-13-6-4-12(21)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,22,26)

InChI Key

HCIUYGQWQIFWSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04029064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.677

Distribution Coefficient, logD

3.667

Water Solubility, LogSw

-4.11

Polar Surface Area

52.150

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

5.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

8640-0140 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8640-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0140?
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What is the minimum amount of 8640-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0140
  • 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 8640-0140 available by request