K977-0511 Screening compound: 3-{[(3-bromobenzyl)sulfonyl]methyl}-7-(1-pyrrolidinylcarbonyl)-3,4-dihydro-2(1H)-quinoxalinone

K977-0511 Screening compound: 3-{[(3-bromobenzyl)sulfonyl]methyl}-7-(1-pyrrolidinylcarbonyl)-3,4-dihydro-2(1H)-quinoxalinone
K977-0511 Screening compound: 3-{[(3-bromobenzyl)sulfonyl]methyl}-7-(1-pyrrolidinylcarbonyl)-3,4-dihydro-2(1H)-quinoxalinone alternative view

Chemical Structure Depiction of ChemDiv screening compound K977-0511
3-{[(3-bromobenzyl)sulfonyl]methyl}-7-(1-pyrrolidinylcarbonyl)-3,4-dihydro-2(1H)-quinoxalinone

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

K977-0511

Molecular Formula

C21H22BrN3O4S (C21 H22 BrN3 O4 S)

Compound Name

3-{[(3-bromobenzyl)sulfonyl]methyl}-7-(1-pyrrolidinylcarbonyl)-3,4-dihydro-2(1H)-quinoxalinone

IUPAC name

3-{[(3-bromophenyl)methanesulfonyl]methyl}-7-(pyrrolidine-1-carbonyl)-1234-tetrahydroquinoxalin-2-one

SMILES

O=C(c(cc1)cc(N2)c1NC(CS(Cc1cccc(Br)c1)(=O)=O)C2=O)N1CCCC1

InChI

InChI=1S/C21H22BrN3O4S/c22-16-5-3-4-14(10-16)12-30(28,29)13-19-20(26)24-18-11-15(6-7-17(18)23-19)21(27)25-8-1-2-9-25/h3-7,10-11,19,23H,1-2,8-9,12-13H2,(H,24,26)/t19-/m0/s1

InChI Key

PUPWDPSDLLSMTD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15115580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.337

Distribution Coefficient, logD

2.337

Water Solubility, LogSw

-2.91

Polar Surface Area

82.412

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

K977-0511 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K977-0511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K977-0511?
Check Price and Availability of K977-0511, 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 K977-0511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K977-0511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K977-0511
  • 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 K977-0511 available by request