4333-3610 Screening compound: 3-benzyl-2-[(4-bromobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

4333-3610 Screening compound: 3-benzyl-2-[(4-bromobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
4333-3610 Screening compound: 3-benzyl-2-[(4-bromobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4333-3610
3-benzyl-2-[(4-bromobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-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

4333-3610

Molecular Formula

C24H21BrN2OS2 (C24 H21 BrN2 OS2)

Compound Name

3-benzyl-2-[(4-bromobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

4-benzyl-5-{[(4-bromophenyl)methyl]sulfanyl}-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

O=C1N(Cc2ccccc2)C(SCc(cc2)ccc2Br)=Nc2c1c(CCCC1)c1s2

InChI

InChI=1S/C24H21BrN2OS2/c25-18-12-10-17(11-13-18)15-29-24-26-22-21(19-8-4-5-9-20(19)30-22)23(28)27(24)14-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,14-15H2

InChI Key

VYNVOQVTZJZQCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02631126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.654

Distribution Coefficient, logD

6.654

Water Solubility, LogSw

-5.95

Polar Surface Area

25.594

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4333-3610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4333-3610?
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What is the minimum amount of 4333-3610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4333-3610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4333-3610
  • 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 4333-3610 available by request