8007-6011 Screening compound: 3-[(2-aminophenyl)sulfanyl]-1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]-1-propanone

8007-6011 Screening compound: 3-[(2-aminophenyl)sulfanyl]-1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]-1-propanone
8007-6011 Screening compound: 3-[(2-aminophenyl)sulfanyl]-1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-6011
3-[(2-aminophenyl)sulfanyl]-1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]-1-propanone

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

8007-6011

Molecular Formula

C23H23BrN2OS (C23 H23 BrN2 OS)

Compound Name

3-[(2-aminophenyl)sulfanyl]-1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]-1-propanone

IUPAC name

3-[(2-aminophenyl)sulfanyl]-1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]propan-1-one

SMILES

CN(C)c1ccc(C(CC(c(cc2)ccc2Br)=O)Sc(cccc2)c2N)cc1

InChI

InChI=1S/C23H23BrN2OS/c1-26(2)19-13-9-17(10-14-19)23(28-22-6-4-3-5-20(22)25)15-21(27)16-7-11-18(24)12-8-16/h3-14,23H,15,25H2,1-2H3/t23-/m0/s1

InChI Key

VVTDGIMUWGTGTI-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00523027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.917

Distribution Coefficient, logD

5.916

Water Solubility, LogSw

-5.63

Polar Surface Area

35.843

Acid Dissociation Constant (pKa)

19.44

Base Dissociation Constant (pKb)

8.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.39

8007-6011 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 8007-6011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-6011?
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What is the minimum amount of 8007-6011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-6011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-6011
  • 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 8007-6011 available by request