3281-0451 Screening compound: 2-[({4-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-2,5-dimethoxyphenyl}methyl)sulfanyl]-1,3-benzoxazole

3281-0451 Screening compound: 2-[({4-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-2,5-dimethoxyphenyl}methyl)sulfanyl]-1,3-benzoxazole
3281-0451 Screening compound: 2-[({4-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-2,5-dimethoxyphenyl}methyl)sulfanyl]-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3281-0451
2-[({4-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-2,5-dimethoxyphenyl}methyl)sulfanyl]-1,3-benzoxazole

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

3281-0451

Molecular Formula

C24H20N2O4S2 (C24 H20 N2 O4 S2)

Compound Name

2-[({4-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-2,5-dimethoxyphenyl}methyl)sulfanyl]-1,3-benzoxazole

IUPAC name

2-[({4-[(13-benzoxazol-2-ylsulfanyl)methyl]-25-dimethoxyphenyl}methyl)sulfanyl]-13-benzoxazole

SMILES

COc(c(CSc1nc(cccc2)c2o1)c1)cc(CSc2nc(cccc3)c3o2)c1OC

InChI

InChI=1S/C24H20N2O4S2/c1-27-21-11-16(14-32-24-26-18-8-4-6-10-20(18)30-24)22(28-2)12-15(21)13-31-23-25-17-7-3-5-9-19(17)29-23/h3-12H,13-14H2,1-2H3

InChI Key

IEYUIOOKOLWIQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.813

Distribution Coefficient, logD

6.813

Water Solubility, LogSw

-5.82

Polar Surface Area

48.283

Acid Dissociation Constant (pKa)

24.91

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 3281-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3281-0451?
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What is the minimum amount of 3281-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3281-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3281-0451
  • 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 3281-0451 available by request