8640-0325 Screening compound: 6-ethyl-2-[(4-fluorobenzyl)sulfanyl]-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine

8640-0325 Screening compound: 6-ethyl-2-[(4-fluorobenzyl)sulfanyl]-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
8640-0325 Screening compound: 6-ethyl-2-[(4-fluorobenzyl)sulfanyl]-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0325
6-ethyl-2-[(4-fluorobenzyl)sulfanyl]-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine

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

8640-0325

Molecular Formula

C19H20FN3OS2 (C19 H20 FN3 OS2)

Compound Name

6-ethyl-2-[(4-fluorobenzyl)sulfanyl]-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine

IUPAC name

12-ethyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-12-methyl-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-amine

SMILES

CCC(C)(C1)OCc(sc2n3)c1c2c(N)nc3SCc(cc1)ccc1F

InChI

InChI=1S/C19H20FN3OS2/c1-3-19(2)8-13-14(9-24-19)26-17-15(13)16(21)22-18(23-17)25-10-11-4-6-12(20)7-5-11/h4-7H,3,8-10H2,1-2H3,(H2,21,22,23)/t19-/m0/s1

InChI Key

BLDKMBWFSMRRQP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03677464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.885

Distribution Coefficient, logD

4.885

Water Solubility, LogSw

-5.02

Polar Surface Area

46.873

Acid Dissociation Constant (pKa)

17.75

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

8640-0325 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8640-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0325?
Check Price and Availability of 8640-0325, 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 8640-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0325
  • 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 8640-0325 available by request