K783-1227 Screening compound: ethyl 3-{N-[(4-chloro-3-nitrophenyl)methyl]4-methoxybenzenesulfonamido}-4-methylpentanoate

K783-1227 Screening compound: ethyl 3-{N-[(4-chloro-3-nitrophenyl)methyl]4-methoxybenzenesulfonamido}-4-methylpentanoate
K783-1227 Screening compound: ethyl 3-{N-[(4-chloro-3-nitrophenyl)methyl]4-methoxybenzenesulfonamido}-4-methylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-1227
ethyl 3-{N-[(4-chloro-3-nitrophenyl)methyl]4-methoxybenzenesulfonamido}-4-methylpentanoate

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

K783-1227

Molecular Formula

C22H27ClN2O7S (C22 H27 ClN2 O7 S)

Compound Name

ethyl 3-{N-[(4-chloro-3-nitrophenyl)methyl]4-methoxybenzenesulfonamido}-4-methylpentanoate

IUPAC name

ethyl 3-{N-[(4-chloro-3-nitrophenyl)methyl]4-methoxybenzenesulfonamido}-4-methylpentanoate

SMILES

CCOC(CC(C(C)C)N(Cc(cc1)cc([N+]([O-])=O)c1Cl)S(c(cc1)ccc1OC)(=O)=O)=O

InChI

InChI=1S/C22H27ClN2O7S/c1-5-32-22(26)13-20(15(2)3)24(14-16-6-11-19(23)21(12-16)25(27)28)33(29,30)18-9-7-17(31-4)8-10-18/h6-12,15,20H,5,13-14H2,1-4H3/t20-/m0/s1

InChI Key

MYXITSPPJQAFIO-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03019374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.98

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.777

Distribution Coefficient, logD

4.777

Water Solubility, LogSw

-4.83

Polar Surface Area

92.384

Acid Dissociation Constant (pKa)

23.21

Base Dissociation Constant (pKb)

-7.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with K783-1227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-1227?
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What is the minimum amount of K783-1227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-1227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-1227
  • 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 K783-1227 available by request