D715-1031 Screening compound: ethyl 3-{4,8-dimethyl-2-oxo-7-[(1H-1,2,3,4-tetrazol-5-yl)methoxy]-2H-chromen-3-yl}propanoate

D715-1031 Screening compound: ethyl 3-{4,8-dimethyl-2-oxo-7-[(1H-1,2,3,4-tetrazol-5-yl)methoxy]-2H-chromen-3-yl}propanoate
D715-1031 Screening compound: ethyl 3-{4,8-dimethyl-2-oxo-7-[(1H-1,2,3,4-tetrazol-5-yl)methoxy]-2H-chromen-3-yl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-1031
ethyl 3-{4,8-dimethyl-2-oxo-7-[(1H-1,2,3,4-tetrazol-5-yl)methoxy]-2H-chromen-3-yl}propanoate

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

D715-1031

Molecular Formula

C18H20N4O5 (C18 H20 N4 O5)

Compound Name

ethyl 3-{4,8-dimethyl-2-oxo-7-[(1H-1,2,3,4-tetrazol-5-yl)methoxy]-2H-chromen-3-yl}propanoate

IUPAC name

ethyl 3-{48-dimethyl-2-oxo-7-[(1H-1234-tetrazol-5-yl)methoxy]-2H-chromen-3-yl}propanoate

SMILES

CCOC(CCC1=C(C)c(ccc(OCc2nnn[nH]2)c2C)c2OC1=O)=O

InChI

InChI=1S/C18H20N4O5/c1-4-25-16(23)8-6-13-10(2)12-5-7-14(11(3)17(12)27-18(13)24)26-9-15-19-21-22-20-15/h5,7H,4,6,8-9H2,1-3H3,(H,19,20,21,22)

InChI Key

VMYWBUOMXIOWSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06596690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.502

Distribution Coefficient, logD

0.448

Water Solubility, LogSw

-2.91

Polar Surface Area

99.692

Acid Dissociation Constant (pKa)

5.46

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

D715-1031 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D715-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-1031?
Check Price and Availability of D715-1031, 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 D715-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-1031
  • 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 D715-1031 available by request