8018-2182 Screening compound: 4-{4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

8018-2182 Screening compound: 4-{4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
8018-2182 Screening compound: 4-{4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2182
4-{4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

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

8018-2182

Molecular Formula

C30H27FN2O4 (C30 H27 FN2 O4)

Compound Name

4-{4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

IUPAC name

4-{4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}-77-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5678-tetrahydro-4H-chromene-3-carbonitrile

SMILES

CC(C)(C1)CC(OC(n2cccc2)=C(C2c(cc3)cc(OC)c3OCc(cccc3)c3F)C#N)=C2C1=O

InChI

InChI=1S/C30H27FN2O4/c1-30(2)15-23(34)28-26(16-30)37-29(33-12-6-7-13-33)21(17-32)27(28)19-10-11-24(25(14-19)35-3)36-18-20-8-4-5-9-22(20)31/h4-14,27H,15-16,18H2,1-3H3/t27-/m1/s1

InChI Key

GIUIYPDPNDIMPH-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD07657383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.255

Distribution Coefficient, logD

5.255

Water Solubility, LogSw

-5.13

Polar Surface Area

57.329

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

-7.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

8018-2182 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-2182 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8018-2182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2182
  • 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 8018-2182 available by request