C301-9501 Screening compound: 2,6-dimethoxy-4-{[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl}phenyl ethyl carbonate

C301-9501 Screening compound: 2,6-dimethoxy-4-{[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl}phenyl ethyl carbonate
C301-9501 Screening compound: 2,6-dimethoxy-4-{[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl}phenyl ethyl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9501
2,6-dimethoxy-4-{[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

C301-9501

Molecular Formula

C19H19N5O6 (C19 H19 N5 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOC(Oc(c(OC)cc(C(Nc1cc(-n2nnnc2)ccc1)=O)c1)c1OC)=O

InChI

InChI=1S/C19H19N5O6/c1-4-29-19(26)30-17-15(27-2)8-12(9-16(17)28-3)18(25)21-13-6-5-7-14(10-13)24-11-20-22-23-24/h5-11H,4H2,1-3H3,(H,21,25)

InChI Key

RFVNNIYOSQJXIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.39

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

2.089

Distribution Coefficient, logD

2.089

Water Solubility, LogSw

-3.14

Polar Surface Area

107.295

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

-1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

C301-9501 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 C301-9501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9501?
Check Price and Availability of C301-9501, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C301-9501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9501
  • 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 C301-9501 available by request