C276-1323 Screening compound: 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

C276-1323 Screening compound: 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione
C276-1323 Screening compound: 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1323
4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

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

C276-1323

Molecular Formula

C21H20ClNO4S (C21 H20 ClNO4 S)

Compound Name

4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

IUPAC name

4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(thiophen-2-yl)-12345678-octahydroquinoline-25-dione

SMILES

CCOc1cc(C(C2)C(C(CC(C3)c4cccs4)=O)=C3NC2=O)cc(Cl)c1O

InChI

InChI=1S/C21H20ClNO4S/c1-2-27-17-9-11(6-14(22)21(17)26)13-10-19(25)23-15-7-12(8-16(24)20(13)15)18-4-3-5-28-18/h3-6,9,12-13,26H,2,7-8,10H2,1H3,(H,23,25)

InChI Key

YIFCCCRFFMMKSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07613273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.91

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

4.139

Distribution Coefficient, logD

3.002

Water Solubility, LogSw

-4.15

Polar Surface Area

61.443

Acid Dissociation Constant (pKa)

6.30

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

C276-1323 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C276-1323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1323?
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What is the minimum amount of C276-1323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1323
  • 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 C276-1323 available by request