8640-0339 Screening compound: 2-[(4-amino-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-benzylacetamide

8640-0339 Screening compound: 2-[(4-amino-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-benzylacetamide
8640-0339 Screening compound: 2-[(4-amino-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-benzylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0339
2-[(4-amino-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-benzylacetamide

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

8640-0339

Molecular Formula

C21H24N4O2S2 (C21 H24 N4 O2 S2)

Compound Name

2-[(4-amino-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-benzylacetamide

IUPAC name

2-({3-amino-12-ethyl-12-methyl-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-5-yl}sulfanyl)-N-benzylacetamide

SMILES

CCC(C)(C1)OCc(sc2n3)c1c2c(N)nc3SCC(NCc1ccccc1)=O

InChI

InChI=1S/C21H24N4O2S2/c1-3-21(2)9-14-15(11-27-21)29-19-17(14)18(22)24-20(25-19)28-12-16(26)23-10-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,23,26)(H2,22,24,25)/t21-/m0/s1

InChI Key

DXZYZWJFTNHRSN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD04161672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.213

Distribution Coefficient, logD

4.213

Water Solubility, LogSw

-4.62

Polar Surface Area

71.345

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

8640-0339 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8640-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0339?
Check Price and Availability of 8640-0339, 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 8640-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0339
  • 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 8640-0339 available by request