C301-6549 Screening compound: 2-bromo-N-[1,4-dimethyl-7-(morpholin-4-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-5-methoxybenzamide

C301-6549 Screening compound: 2-bromo-N-[1,4-dimethyl-7-(morpholin-4-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-5-methoxybenzamide
C301-6549 Screening compound: 2-bromo-N-[1,4-dimethyl-7-(morpholin-4-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-5-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6549
2-bromo-N-[1,4-dimethyl-7-(morpholin-4-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-5-methoxybenzamide

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

C301-6549

Molecular Formula

C22H23BrN4O5 (C22 H23 BrN4 O5)

Compound Name

2-bromo-N-[1,4-dimethyl-7-(morpholin-4-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-5-methoxybenzamide

IUPAC name

2-bromo-N-[14-dimethyl-7-(morpholin-4-yl)-23-dioxo-1234-tetrahydroquinoxalin-6-yl]-5-methoxybenzamide

SMILES

CN(c(c(N(C)C1=O)c2)cc(NC(c(cc(cc3)OC)c3Br)=O)c2N2CCOCC2)C1=O

InChI

InChI=1S/C22H23BrN4O5/c1-25-18-11-16(24-20(28)14-10-13(31-3)4-5-15(14)23)17(27-6-8-32-9-7-27)12-19(18)26(2)22(30)21(25)29/h4-5,10-12H,6-9H2,1-3H3,(H,24,28)

InChI Key

AMJXNHZTFBXUMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.190

Distribution Coefficient, logD

1.742

Water Solubility, LogSw

-3.13

Polar Surface Area

71.595

Acid Dissociation Constant (pKa)

7.14

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C301-6549 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-6549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6549?
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What is the minimum amount of C301-6549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6549
  • 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 C301-6549 available by request