8017-8681 Screening compound: 1-(2-chloro-5-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carbolin-6-yl methyl ether

8017-8681 Screening compound: 1-(2-chloro-5-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carbolin-6-yl methyl ether
8017-8681 Screening compound: 1-(2-chloro-5-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carbolin-6-yl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8681
1-(2-chloro-5-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carbolin-6-yl methyl ether

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

8017-8681

Molecular Formula

C18H16ClN3O3 (C18 H16 ClN3 O3)

Compound Name

1-(2-chloro-5-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carbolin-6-yl methyl ether

IUPAC name

1-(2-chloro-5-nitrophenyl)-6-methoxy-1H2H3H4H9H-pyrido[34-b]indole

SMILES

COc(cc1)cc2c1[nH]c1c2CCNC1c(cc(cc1)[N+]([O-])=O)c1Cl

InChI

InChI=1S/C18H16ClN3O3/c1-25-11-3-5-16-13(9-11)12-6-7-20-17(18(12)21-16)14-8-10(22(23)24)2-4-15(14)19/h2-5,8-9,17,20-21H,6-7H2,1H3/t17-/m1/s1

InChI Key

RELZHFFZZUGYBJ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD05191912

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

357.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.661

Distribution Coefficient, logD

3.607

Water Solubility, LogSw

-4.08

Polar Surface Area

63.294

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

6.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

8017-8681 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8017-8681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8681?
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What is the minimum amount of 8017-8681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8681
  • 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 8017-8681 available by request