8012-9639 Screening compound: 2-[(4-bromophenyl)(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-(4-cyclohexylphenyl)ethan-1-one

8012-9639 Screening compound: 2-[(4-bromophenyl)(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-(4-cyclohexylphenyl)ethan-1-one
8012-9639 Screening compound: 2-[(4-bromophenyl)(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-(4-cyclohexylphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9639
2-[(4-bromophenyl)(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-(4-cyclohexylphenyl)ethan-1-one

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

8012-9639

Molecular Formula

C26H31BrN2O (C26 H31 BrN2 O)

Compound Name

2-[(4-bromophenyl)(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-(4-cyclohexylphenyl)ethan-1-one

IUPAC name

2-[(4-bromophenyl)(3456-tetrahydro-2H-azepin-7-yl)amino]-1-(4-cyclohexylphenyl)ethan-1-one

SMILES

O=C(CN(c(cc1)ccc1Br)C1=NCCCCC1)c1ccc(C2CCCCC2)cc1

InChI

InChI=1S/C26H31BrN2O/c27-23-14-16-24(17-15-23)29(26-9-5-2-6-18-28-26)19-25(30)22-12-10-21(11-13-22)20-7-3-1-4-8-20/h10-17,20H,1-9,18-19H2

InChI Key

RYCNHUAFJJJJDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03231147

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

467.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.233

Distribution Coefficient, logD

4.097

Water Solubility, LogSw

-5.97

Polar Surface Area

25.072

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

10.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

8012-9639 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8012-9639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9639?
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What is the minimum amount of 8012-9639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9639
  • 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 8012-9639 available by request