C798-0159 Screening compound: 7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxylic acid

C798-0159 Screening compound: 7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxylic acid
C798-0159 Screening compound: 7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0159
7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxylic acid

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

C798-0159

Molecular Formula

C20H15ClO5 (C20 H15 ClO5)

Compound Name

7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxylic acid

IUPAC name

11-(4-chlorophenyl)-311-dimethyl-13-oxo-510-dioxatricyclo[7.4.0.0^{26}]trideca-1368-tetraene-4-carboxylic acid

SMILES

CC(C1)(c(cc2)ccc2Cl)Oc(ccc2c3c(C)c(C(O)=O)o2)c3C1=O

InChI

InChI=1S/C20H15ClO5/c1-10-16-14(25-18(10)19(23)24)7-8-15-17(16)13(22)9-20(2,26-15)11-3-5-12(21)6-4-11/h3-8H,9H2,1-2H3,(H,23,24)/t20-/m0/s1

InChI Key

JXOZHNWLYMWADI-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14280547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.209

Distribution Coefficient, logD

0.094

Water Solubility, LogSw

-4.71

Polar Surface Area

56.434

Acid Dissociation Constant (pKa)

3.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C798-0159 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C798-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0159?
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What is the minimum amount of C798-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0159
  • 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 C798-0159 available by request