1682-8071 Screening compound: butyl 4-[2-({6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetamido]benzoate

1682-8071 Screening compound: butyl 4-[2-({6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetamido]benzoate
1682-8071 Screening compound: butyl 4-[2-({6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-8071
butyl 4-[2-({6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetamido]benzoate

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

1682-8071

Molecular Formula

C26H23NO6 (C26 H23 NO6)

Compound Name

butyl 4-[2-({6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetamido]benzoate

IUPAC name

butyl 4-[2-({6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetamido]benzoate

SMILES

CCCCOC(c(cc1)ccc1NC(COc(cc1)cc(O2)c1-c(cccc1)c1C2=O)=O)=O

InChI

InChI=1S/C26H23NO6/c1-2-3-14-31-25(29)17-8-10-18(11-9-17)27-24(28)16-32-19-12-13-21-20-6-4-5-7-22(20)26(30)33-23(21)15-19/h4-13,15H,2-3,14,16H2,1H3,(H,27,28)

InChI Key

XEVPPIMSTVNMRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00709851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.111

Distribution Coefficient, logD

5.111

Water Solubility, LogSw

-5.28

Polar Surface Area

72.313

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

1682-8071 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 1682-8071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-8071?
Check Price and Availability of 1682-8071, 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 1682-8071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-8071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-8071
  • 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 1682-8071 available by request