8017-7835 Screening compound: 6-methoxy-1-(4-nitrophenyl)-2-(thiophene-2-carbonyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

8017-7835 Screening compound: 6-methoxy-1-(4-nitrophenyl)-2-(thiophene-2-carbonyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole
8017-7835 Screening compound: 6-methoxy-1-(4-nitrophenyl)-2-(thiophene-2-carbonyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7835
6-methoxy-1-(4-nitrophenyl)-2-(thiophene-2-carbonyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

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

8017-7835

Molecular Formula

C23H19N3O4S (C23 H19 N3 O4 S)

Compound Name

6-methoxy-1-(4-nitrophenyl)-2-(thiophene-2-carbonyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

IUPAC name

6-methoxy-1-(4-nitrophenyl)-2-(thiophene-2-carbonyl)-1H2H3H4H9H-pyrido[34-b]indole

SMILES

COc(cc1)cc2c1[nH]c(C1c(cc3)ccc3[N+]([O-])=O)c2CCN1C(c1cccs1)=O

InChI

InChI=1S/C23H19N3O4S/c1-30-16-8-9-19-18(13-16)17-10-11-25(23(27)20-3-2-12-31-20)22(21(17)24-19)14-4-6-15(7-5-14)26(28)29/h2-9,12-13,22,24H,10-11H2,1H3/t22-/m1/s1

InChI Key

JQPDCTQLWUKKLR-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD06618176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.126

Distribution Coefficient, logD

5.126

Water Solubility, LogSw

-5.19

Polar Surface Area

68.015

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

8017-7835 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8017-7835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7835?
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What is the minimum amount of 8017-7835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7835
  • 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 8017-7835 available by request