8011-3635 Screening compound: ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]-4-phenylthiophene-3-carboxylate

8011-3635 Screening compound: ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]-4-phenylthiophene-3-carboxylate
8011-3635 Screening compound: ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]-4-phenylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-3635
ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]-4-phenylthiophene-3-carboxylate

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

8011-3635

Molecular Formula

C22H18N2O4S2 (C22 H18 N2 O4 S2)

Compound Name

ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]-4-phenylthiophene-3-carboxylate

IUPAC name

ethyl 2-[2-(13-benzoxazol-2-ylsulfanyl)acetamido]-4-phenylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSc2nc(cccc3)c3o2)=O)scc1-c1ccccc1)=O

InChI

InChI=1S/C22H18N2O4S2/c1-2-27-21(26)19-15(14-8-4-3-5-9-14)12-29-20(19)24-18(25)13-30-22-23-16-10-6-7-11-17(16)28-22/h3-12H,2,13H2,1H3,(H,24,25)

InChI Key

XTNVAQDHVNJXIN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.179

Distribution Coefficient, logD

5.168

Water Solubility, LogSw

-5.14

Polar Surface Area

60.056

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 8011-3635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-3635?
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What is the minimum amount of 8011-3635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-3635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-3635
  • 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 8011-3635 available by request