8009-5407 Screening compound: N-benzyl-2-[(Z)-({4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl}methylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

8009-5407 Screening compound: N-benzyl-2-[(Z)-({4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl}methylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
8009-5407 Screening compound: N-benzyl-2-[(Z)-({4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl}methylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5407
N-benzyl-2-[(Z)-({4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl}methylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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

8009-5407

Molecular Formula

C32H29N3O3S (C32 H29 N3 O3 S)

Compound Name

N-benzyl-2-[(Z)-({4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl}methylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

N-benzyl-2-[(Z)-({4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl}methylidene)amino]-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

COc(cc(/C=N\c1c(C(NCc2ccccc2)=O)c(CCCC2)c2s1)cc1)c1OCc(cccc1)c1C#N

InChI

InChI=1S/C32H29N3O3S/c1-37-28-17-23(15-16-27(28)38-21-25-12-6-5-11-24(25)18-33)20-35-32-30(26-13-7-8-14-29(26)39-32)31(36)34-19-22-9-3-2-4-10-22/h2-6,9-12,15-17,20H,7-8,13-14,19,21H2,1H3,(H,34,36)

InChI Key

ULKUZOCBFCPVMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01821827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.896

Distribution Coefficient, logD

5.896

Water Solubility, LogSw

-5.56

Polar Surface Area

64.495

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.90

8009-5407 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8009-5407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5407?
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What is the minimum amount of 8009-5407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5407
  • 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 8009-5407 available by request