K783-1330 Screening compound: ethyl 4-({N-[(pyridin-4-yl)methyl]4-tert-butylbenzenesulfonamido}methyl)benzoate

K783-1330 Screening compound: ethyl 4-({N-[(pyridin-4-yl)methyl]4-tert-butylbenzenesulfonamido}methyl)benzoate
K783-1330 Screening compound: ethyl 4-({N-[(pyridin-4-yl)methyl]4-tert-butylbenzenesulfonamido}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-1330
ethyl 4-({N-[(pyridin-4-yl)methyl]4-tert-butylbenzenesulfonamido}methyl)benzoate

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

K783-1330

Molecular Formula

C26H30N2O4S (C26 H30 N2 O4 S)

Compound Name

ethyl 4-({N-[(pyridin-4-yl)methyl]4-tert-butylbenzenesulfonamido}methyl)benzoate

IUPAC name

ethyl 4-({N-[(pyridin-4-yl)methyl]4-tert-butylbenzenesulfonamido}methyl)benzoate

SMILES

CCOC(c1ccc(CN(Cc2ccncc2)S(c2ccc(C(C)(C)C)cc2)(=O)=O)cc1)=O

InChI

InChI=1S/C26H30N2O4S/c1-5-32-25(29)22-8-6-20(7-9-22)18-28(19-21-14-16-27-17-15-21)33(30,31)24-12-10-23(11-13-24)26(2,3)4/h6-17H,5,18-19H2,1-4H3

InChI Key

HPOIMMKVBFPTTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03019381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.647

Distribution Coefficient, logD

5.632

Water Solubility, LogSw

-5.27

Polar Surface Area

61.524

Acid Dissociation Constant (pKa)

25.20

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

K783-1330 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 K783-1330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-1330?
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What is the minimum amount of K783-1330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-1330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-1330
  • 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 K783-1330 available by request