8640-0326 Screening compound: 2-[(4-chlorobenzyl)sulfanyl]-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine

8640-0326 Screening compound: 2-[(4-chlorobenzyl)sulfanyl]-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
8640-0326 Screening compound: 2-[(4-chlorobenzyl)sulfanyl]-6-ethyl-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 8640-0326
2-[(4-chlorobenzyl)sulfanyl]-6-ethyl-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

8640-0326

Molecular Formula

C19H20ClN3OS2 (C19 H20 ClN3 OS2)

Compound Name

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

IUPAC name

5-{[(4-chlorophenyl)methyl]sulfanyl}-12-ethyl-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)ccc1Cl

InChI

InChI=1S/C19H20ClN3OS2/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

UVJSLEYKNXMHIP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03680585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.97

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

5.451

Distribution Coefficient, logD

5.451

Water Solubility, LogSw

-5.99

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

8640-0326 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8640-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0326?
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What is the minimum amount of 8640-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0326
  • 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 8640-0326 available by request