C276-0008 Screening compound: 9-(3-bromo-4-ethoxy-5-methoxyphenyl)-2H,3H,6H,7H,8H,9H-[1,4]dioxino[2,3-g]quinolin-7-one

C276-0008 Screening compound: 9-(3-bromo-4-ethoxy-5-methoxyphenyl)-2H,3H,6H,7H,8H,9H-[1,4]dioxino[2,3-g]quinolin-7-one
C276-0008 Screening compound: 9-(3-bromo-4-ethoxy-5-methoxyphenyl)-2H,3H,6H,7H,8H,9H-[1,4]dioxino[2,3-g]quinolin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0008
9-(3-bromo-4-ethoxy-5-methoxyphenyl)-2H,3H,6H,7H,8H,9H-[1,4]dioxino[2,3-g]quinolin-7-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

C276-0008

Molecular Formula

C20H20BrNO5 (C20 H20 BrNO5)

Compound Name

9-(3-bromo-4-ethoxy-5-methoxyphenyl)-2H,3H,6H,7H,8H,9H-[1,4]dioxino[2,3-g]quinolin-7-one

IUPAC name

9-(3-bromo-4-ethoxy-5-methoxyphenyl)-2H3H6H7H8H9H-[14]dioxino[23-g]quinolin-7-one

SMILES

CCOc(c(OC)cc(C(C1)c(cc2OCCOc2c2)c2NC1=O)c1)c1Br

InChI

InChI=1S/C20H20BrNO5/c1-3-25-20-14(21)6-11(7-18(20)24-2)12-9-19(23)22-15-10-17-16(8-13(12)15)26-4-5-27-17/h6-8,10,12H,3-5,9H2,1-2H3,(H,22,23)/t12-/m0/s1

InChI Key

TXGBWTRZSLWBSP-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD05032243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.468

Distribution Coefficient, logD

2.468

Water Solubility, LogSw

-2.91

Polar Surface Area

55.538

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

C276-0008 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C276-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0008?
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What is the minimum amount of C276-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0008
  • 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 C276-0008 available by request