8016-9389 Screening compound: 6-methoxy-1-(5-nitro-2-furyl)-2,3,4,9-tetrahydro-1H-beta-carboline

8016-9389 Screening compound: 6-methoxy-1-(5-nitro-2-furyl)-2,3,4,9-tetrahydro-1H-beta-carboline
8016-9389 Screening compound: 6-methoxy-1-(5-nitro-2-furyl)-2,3,4,9-tetrahydro-1H-beta-carboline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9389
6-methoxy-1-(5-nitro-2-furyl)-2,3,4,9-tetrahydro-1H-beta-carboline

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

8016-9389

Molecular Formula

C16H15N3O4 (C16 H15 N3 O4)

Compound Name

6-methoxy-1-(5-nitro-2-furyl)-2,3,4,9-tetrahydro-1H-beta-carboline

IUPAC name

6-methoxy-1-(5-nitrofuran-2-yl)-1H2H3H4H9H-pyrido[34-b]indole

SMILES

COc(cc1)cc2c1[nH]c1c2CCNC1c1ccc([N+]([O-])=O)o1

InChI

InChI=1S/C16H15N3O4/c1-22-9-2-3-12-11(8-9)10-6-7-17-16(15(10)18-12)13-4-5-14(23-13)19(20)21/h2-5,8,16-18H,6-7H2,1H3/t16-/m0/s1

InChI Key

XQXQYIIUQFRGRJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD05860425

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

313.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.100

Distribution Coefficient, logD

2.057

Water Solubility, LogSw

-2.67

Polar Surface Area

72.573

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

6.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8016-9389 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8016-9389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9389?
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What is the minimum amount of 8016-9389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9389
  • 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 8016-9389 available by request