8008-3373 Screening compound: ethyl 2-amino-4-(4-bromo-5-methyl-2-thienyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

8008-3373 Screening compound: ethyl 2-amino-4-(4-bromo-5-methyl-2-thienyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
8008-3373 Screening compound: ethyl 2-amino-4-(4-bromo-5-methyl-2-thienyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3373
ethyl 2-amino-4-(4-bromo-5-methyl-2-thienyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-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

8008-3373

Molecular Formula

C17H18BrNO4S (C17 H18 BrNO4 S)

Compound Name

ethyl 2-amino-4-(4-bromo-5-methyl-2-thienyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

IUPAC name

ethyl 2-amino-4-(4-bromo-5-methylthiophen-2-yl)-5-oxo-5678-tetrahydro-4H-chromene-3-carboxylate

SMILES

CCOC(C(C1c2cc(Br)c(C)s2)=C(N)OC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C17H18BrNO4S/c1-3-22-17(21)15-14(12-7-9(18)8(2)24-12)13-10(20)5-4-6-11(13)23-16(15)19/h7,14H,3-6,19H2,1-2H3/t14-/m1/s1

InChI Key

SQELANIHQTYYDQ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01118623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.258

Distribution Coefficient, logD

3.258

Water Solubility, LogSw

-3.56

Polar Surface Area

64.318

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

References: we are preparing a list of scientific research reports with 8008-3373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3373?
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What is the minimum amount of 8008-3373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3373
  • 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 8008-3373 available by request