D715-1046 Screening compound: 4,7-dimethyl-5-[(1H-1,2,3,4-tetrazol-5-yl)methoxy]-2H-chromen-2-one

D715-1046 Screening compound: 4,7-dimethyl-5-[(1H-1,2,3,4-tetrazol-5-yl)methoxy]-2H-chromen-2-one
D715-1046 Screening compound: 4,7-dimethyl-5-[(1H-1,2,3,4-tetrazol-5-yl)methoxy]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-1046
4,7-dimethyl-5-[(1H-1,2,3,4-tetrazol-5-yl)methoxy]-2H-chromen-2-one

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

D715-1046

Molecular Formula

C13H12N4O3 (C13 H12 N4 O3)

Compound Name

4,7-dimethyl-5-[(1H-1,2,3,4-tetrazol-5-yl)methoxy]-2H-chromen-2-one

IUPAC name

47-dimethyl-5-[(1H-1234-tetrazol-5-yl)methoxy]-2H-chromen-2-one

SMILES

Cc1cc(OC(C=C2C)=O)c2c(OCc2nnn[nH]2)c1

InChI

InChI=1S/C13H12N4O3/c1-7-3-9(19-6-11-14-16-17-15-11)13-8(2)5-12(18)20-10(13)4-7/h3-5H,6H2,1-2H3,(H,14,15,16,17)

InChI Key

XNPMRPZGZFPQEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06609869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.725

Distribution Coefficient, logD

-0.330

Water Solubility, LogSw

-2.11

Polar Surface Area

79.335

Acid Dissociation Constant (pKa)

5.55

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with D715-1046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-1046?
Check Price and Availability of D715-1046, 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 D715-1046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-1046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-1046
  • 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 D715-1046 available by request