8018-1977 Screening compound: 10-(4-chlorobenzoyl)-3-fluoro-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione

8018-1977 Screening compound: 10-(4-chlorobenzoyl)-3-fluoro-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
8018-1977 Screening compound: 10-(4-chlorobenzoyl)-3-fluoro-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1977
10-(4-chlorobenzoyl)-3-fluoro-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-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

8018-1977

Molecular Formula

C21H14ClFN2O3 (C21 H14 ClFN2 O3)

Compound Name

10-(4-chlorobenzoyl)-3-fluoro-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione

IUPAC name

16-(4-chlorobenzoyl)-5-fluoro-113-diazatetracyclo[8.6.0.0^{27}.0^{1115}]hexadeca-2468-tetraene-1214-dione

SMILES

O=C(C(C(C(C1C=C2)C(N3)=O)C3=O)N1c(cc1)c2cc1F)c(cc1)ccc1Cl

InChI

InChI=1S/C21H14ClFN2O3/c22-12-4-1-10(2-5-12)19(26)18-17-16(20(27)24-21(17)28)15-7-3-11-9-13(23)6-8-14(11)25(15)18/h1-9,15-18H,(H,24,27,28)

InChI Key

FODXHQMLJQBXRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.984

Distribution Coefficient, logD

2.796

Water Solubility, LogSw

-3.75

Polar Surface Area

54.736

Acid Dissociation Constant (pKa)

7.67

Base Dissociation Constant (pKb)

-3.31

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

19.00

8018-1977 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-1977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1977?
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What is the minimum amount of 8018-1977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1977
  • 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 8018-1977 available by request