8006-7476 Screening compound: (4-fluorophenyl)[1-(4-methoxyphenyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]methanone

8006-7476 Screening compound: (4-fluorophenyl)[1-(4-methoxyphenyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]methanone
8006-7476 Screening compound: (4-fluorophenyl)[1-(4-methoxyphenyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-7476
(4-fluorophenyl)[1-(4-methoxyphenyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]methanone

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

8006-7476

Molecular Formula

C25H21FN2O2 (C25 H21 FN2 O2)

Compound Name

(4-fluorophenyl)[1-(4-methoxyphenyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]methanone

IUPAC name

2-(4-fluorobenzoyl)-1-(4-methoxyphenyl)-1H2H3H4H9H-pyrido[34-b]indole

SMILES

COc1ccc(C(c2c(CC3)c(cccc4)c4[nH]2)N3C(c(cc2)ccc2F)=O)cc1

InChI

InChI=1S/C25H21FN2O2/c1-30-19-12-8-16(9-13-19)24-23-21(20-4-2-3-5-22(20)27-23)14-15-28(24)25(29)17-6-10-18(26)11-7-17/h2-13,24,27H,14-15H2,1H3/t24-/m1/s1

InChI Key

ITSXSUBZYTXFFF-XMMPIXPASA-N

MDL Number (MFCD)

MFCD00287649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.088

Distribution Coefficient, logD

5.088

Water Solubility, LogSw

-5.13

Polar Surface Area

33.615

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

8006-7476 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8006-7476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-7476?
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What is the minimum amount of 8006-7476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-7476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-7476
  • 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 8006-7476 available by request