2729-0362 Screening compound: N'~1~-[(Z)-1-(3-bromo-2-hydroxy-6,7,8,9-tetrahydrodibenzo[b,d]furan-1-yl)methylidene]-2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetohydrazide

2729-0362 Screening compound: N'~1~-[(Z)-1-(3-bromo-2-hydroxy-6,7,8,9-tetrahydrodibenzo[b,d]furan-1-yl)methylidene]-2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetohydrazide
2729-0362 Screening compound: N'~1~-[(Z)-1-(3-bromo-2-hydroxy-6,7,8,9-tetrahydrodibenzo[b,d]furan-1-yl)methylidene]-2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0362
N'~1~-[(Z)-1-(3-bromo-2-hydroxy-6,7,8,9-tetrahydrodibenzo[b,d]furan-1-yl)methylidene]-2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetohydrazide

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

2729-0362

Molecular Formula

C33H25BrN4O3S (C33 H25 BrN4 O3 S)

Compound Name

N'~1~-[(Z)-1-(3-bromo-2-hydroxy-6,7,8,9-tetrahydrodibenzo[b,d]furan-1-yl)methylidene]-2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetohydrazide

IUPAC name

N'-[(Z)-{5-bromo-4-hydroxy-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl}methylidene]-2-[(3-cyano-46-diphenylpyridin-2-yl)sulfanyl]acetohydrazide

SMILES

N#Cc(c(SCC(N/N=C\c1c(c(CCCC2)c2o2)c2cc(Br)c1O)=O)nc(-c1ccccc1)c1)c1-c1ccccc1

InChI

InChI=1S/C33H25BrN4O3S/c34-26-16-29-31(22-13-7-8-14-28(22)41-29)25(32(26)40)18-36-38-30(39)19-42-33-24(17-35)23(20-9-3-1-4-10-20)15-27(37-33)21-11-5-2-6-12-21/h1-6,9-12,15-16,18,40H,7-8,13-14,19H2,(H,38,39)

InChI Key

WUUQHQSTBUJMTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

637.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

8.517

Distribution Coefficient, logD

8.509

Water Solubility, LogSw

-6.25

Polar Surface Area

84.196

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.20

2729-0362 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 2729-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2729-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0362
  • 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 2729-0362 available by request