5701-1686 Screening compound: 1-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

5701-1686 Screening compound: 1-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
5701-1686 Screening compound: 1-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5701-1686
1-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

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

5701-1686

Molecular Formula

C27H25N3O6 (C27 H25 N3 O6)

Compound Name

1-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

IUPAC name

1-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1H2H3H4H9H-pyrido[34-b]indole-3-carboxylic acid

SMILES

Cc(cc(cc1)OCc(cc(C(c2c(C3)c(cccc4)c4[nH]2)NC3C(O)=O)cc2)c2OC)c1[N+]([O-])=O

InChI

InChI=1S/C27H25N3O6/c1-15-11-18(8-9-23(15)30(33)34)36-14-17-12-16(7-10-24(17)35-2)25-26-20(13-22(29-25)27(31)32)19-5-3-4-6-21(19)28-26/h3-12,22,25,28-29H,13-14H2,1-2H3,(H,31,32)

InChI Key

FDZGIBMCXYYELL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02925059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.850

Distribution Coefficient, logD

1.315

Water Solubility, LogSw

-4.23

Polar Surface Area

99.146

Acid Dissociation Constant (pKa)

3.00

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

5701-1686 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

Epigenetics Focused Set (26518 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 5701-1686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5701-1686?
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What is the minimum amount of 5701-1686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5701-1686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5701-1686
  • 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 5701-1686 available by request