8011-7388 Screening compound: tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-{[2-(2-naphthylamino)-2-oxoethyl]sulfanyl}-1,4-dihydro-3-pyridinecarboxylate

8011-7388 Screening compound: tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-{[2-(2-naphthylamino)-2-oxoethyl]sulfanyl}-1,4-dihydro-3-pyridinecarboxylate
8011-7388 Screening compound: tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-{[2-(2-naphthylamino)-2-oxoethyl]sulfanyl}-1,4-dihydro-3-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-7388
tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-{[2-(2-naphthylamino)-2-oxoethyl]sulfanyl}-1,4-dihydro-3-pyridinecarboxylate

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

8011-7388

Molecular Formula

C30H28ClN3O3S (C30 H28 ClN3 O3 S)

Compound Name

tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-{[2-(2-naphthylamino)-2-oxoethyl]sulfanyl}-1,4-dihydro-3-pyridinecarboxylate

IUPAC name

tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-({[(naphthalen-2-yl)carbamoyl]methyl}sulfanyl)-14-dihydropyridine-3-carboxylate

SMILES

CC(C)(C)OC(C(C1c(cc2)ccc2Cl)=C(C)NC(SCC(Nc2cc3ccccc3cc2)=O)=C1C#N)=O

InChI

InChI=1S/C30H28ClN3O3S/c1-18-26(29(36)37-30(2,3)4)27(20-9-12-22(31)13-10-20)24(16-32)28(33-18)38-17-25(35)34-23-14-11-19-7-5-6-8-21(19)15-23/h5-15,27,33H,17H2,1-4H3,(H,34,35)/t27-/m1/s1

InChI Key

WLHONIREPFARLX-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD02238781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.09

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.929

Distribution Coefficient, logD

3.958

Water Solubility, LogSw

-6.68

Polar Surface Area

69.571

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.33

8011-7388 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 8011-7388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-7388?
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What is the minimum amount of 8011-7388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-7388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-7388
  • 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 8011-7388 available by request