3807-1646 Screening compound: 3-benzyl-2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

3807-1646 Screening compound: 3-benzyl-2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
3807-1646 Screening compound: 3-benzyl-2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-1646
3-benzyl-2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

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

3807-1646

Molecular Formula

C26H24Cl2N2O2S2 (C26 H24 Cl2 N2 O2 S2)

Compound Name

3-benzyl-2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

4-benzyl-5-{[(34-dichlorophenyl)methyl]sulfanyl}-12-ethyl-12-methyl-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CCC(C)(C1)OCc2c1c(C(N(Cc1ccccc1)C(SCc(cc1)cc(Cl)c1Cl)=N1)=O)c1s2

InChI

InChI=1S/C26H24Cl2N2O2S2/c1-3-26(2)12-18-21(14-32-26)34-23-22(18)24(31)30(13-16-7-5-4-6-8-16)25(29-23)33-15-17-9-10-19(27)20(28)11-17/h4-11H,3,12-15H2,1-2H3/t26-/m0/s1

InChI Key

BWLSOSSTHDYSFV-SANMLTNESA-N

MDL Number (MFCD)

MFCD01557937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.706

Distribution Coefficient, logD

7.706

Water Solubility, LogSw

-6.58

Polar Surface Area

33.485

Acid Dissociation Constant (pKa)

25.53

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

3807-1646 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3807-1646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-1646?
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What is the minimum amount of 3807-1646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-1646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-1646
  • 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 3807-1646 available by request