3237-1125 Screening compound: ethyl 4-(4-bromophenyl)-2-({[(4Z)-5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)thiophene-3-carboxylate

3237-1125 Screening compound: ethyl 4-(4-bromophenyl)-2-({[(4Z)-5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)thiophene-3-carboxylate
3237-1125 Screening compound: ethyl 4-(4-bromophenyl)-2-({[(4Z)-5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3237-1125
ethyl 4-(4-bromophenyl)-2-({[(4Z)-5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)thiophene-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

3237-1125

Molecular Formula

C23H17BrN2O4S (C23 H17 BrN2 O4 S)

Compound Name

ethyl 4-(4-bromophenyl)-2-({[(4Z)-5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)thiophene-3-carboxylate

IUPAC name

ethyl 4-(4-bromophenyl)-2-({[(4Z)-5-oxo-2-phenyl-45-dihydro-13-oxazol-4-ylidene]methyl}amino)thiophene-3-carboxylate

SMILES

CCOC(c1c(N/C=C2\N=C(c3ccccc3)OC2=O)scc1-c(cc1)ccc1Br)=O

InChI

InChI=1S/C23H17BrN2O4S/c1-2-29-23(28)19-17(14-8-10-16(24)11-9-14)13-31-21(19)25-12-18-22(27)30-20(26-18)15-6-4-3-5-7-15/h3-13,25H,2H2,1H3

InChI Key

ANVPRGCQTYJYNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01413162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.391

Distribution Coefficient, logD

5.270

Water Solubility, LogSw

-5.53

Polar Surface Area

62.253

Acid Dissociation Constant (pKa)

7.90

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 3237-1125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3237-1125?
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What is the minimum amount of 3237-1125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3237-1125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3237-1125
  • 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 3237-1125 available by request