K977-0444 Screening compound: 2-{[(2-chloro-6-fluorobenzyl)sulfonyl]methyl}-N-(4-methoxybenzyl)-3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxamide

K977-0444 Screening compound: 2-{[(2-chloro-6-fluorobenzyl)sulfonyl]methyl}-N-(4-methoxybenzyl)-3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxamide
K977-0444 Screening compound: 2-{[(2-chloro-6-fluorobenzyl)sulfonyl]methyl}-N-(4-methoxybenzyl)-3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K977-0444
2-{[(2-chloro-6-fluorobenzyl)sulfonyl]methyl}-N-(4-methoxybenzyl)-3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxamide

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

K977-0444

Molecular Formula

C25H23ClFN3O5S (C25 H23 ClFN3 O5 S)

Compound Name

2-{[(2-chloro-6-fluorobenzyl)sulfonyl]methyl}-N-(4-methoxybenzyl)-3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxamide

IUPAC name

2-{[(2-chloro-6-fluorophenyl)methanesulfonyl]methyl}-N-[(4-methoxyphenyl)methyl]-3-oxo-1234-tetrahydroquinoxaline-6-carboxamide

SMILES

COc1ccc(CNC(c(cc2)cc(N3)c2NC(CS(Cc(c(F)ccc2)c2Cl)(=O)=O)C3=O)=O)cc1

InChI

InChI=1S/C25H23ClFN3O5S/c1-35-17-8-5-15(6-9-17)12-28-24(31)16-7-10-21-22(11-16)30-25(32)23(29-21)14-36(33,34)13-18-19(26)3-2-4-20(18)27/h2-11,23,29H,12-14H2,1H3,(H,28,31)(H,30,32)/t23-/m0/s1

InChI Key

BGCGJCFYNKHSHZ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15115573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.99

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.215

Distribution Coefficient, logD

3.215

Water Solubility, LogSw

-3.63

Polar Surface Area

97.355

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with K977-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K977-0444?
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What is the minimum amount of K977-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K977-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K977-0444
  • 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 K977-0444 available by request