C301-9863 Screening compound: 2,6-dimethoxy-4-{[4-methyl-3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl}phenyl ethyl carbonate

C301-9863 Screening compound: 2,6-dimethoxy-4-{[4-methyl-3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl}phenyl ethyl carbonate
C301-9863 Screening compound: 2,6-dimethoxy-4-{[4-methyl-3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl}phenyl ethyl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9863
2,6-dimethoxy-4-{[4-methyl-3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl}phenyl ethyl carbonate

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

C301-9863

Molecular Formula

C20H21N5O6 (C20 H21 N5 O6)

Compound Name

2,6-dimethoxy-4-{[4-methyl-3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl}phenyl ethyl carbonate

IUPAC name

26-dimethoxy-4-{[4-methyl-3-(1H-1234-tetrazol-1-yl)phenyl]carbamoyl}phenyl ethyl carbonate

SMILES

CCOC(Oc(c(OC)cc(C(Nc1cc(-n2nnnc2)c(C)cc1)=O)c1)c1OC)=O

InChI

InChI=1S/C20H21N5O6/c1-5-30-20(27)31-18-16(28-3)8-13(9-17(18)29-4)19(26)22-14-7-6-12(2)15(10-14)25-11-21-23-24-25/h6-11H,5H2,1-4H3,(H,22,26)

InChI Key

WTMIGNNLQDAUHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.547

Distribution Coefficient, logD

2.547

Water Solubility, LogSw

-3.06

Polar Surface Area

106.994

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C301-9863 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-9863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9863?
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What is the minimum amount of C301-9863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9863
  • 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 C301-9863 available by request