2729-1073 Screening compound: 2,4-dibromo-6-(7,8-dimethyl-3,5-dihydro-1H-2,4-benzodithiepin-3-yl)phenol

2729-1073 Screening compound: 2,4-dibromo-6-(7,8-dimethyl-3,5-dihydro-1H-2,4-benzodithiepin-3-yl)phenol
2729-1073 Screening compound: 2,4-dibromo-6-(7,8-dimethyl-3,5-dihydro-1H-2,4-benzodithiepin-3-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-1073
2,4-dibromo-6-(7,8-dimethyl-3,5-dihydro-1H-2,4-benzodithiepin-3-yl)phenol

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

2729-1073

Molecular Formula

C17H16Br2OS2 (C17 H16 Br2 OS2)

Compound Name

2,4-dibromo-6-(7,8-dimethyl-3,5-dihydro-1H-2,4-benzodithiepin-3-yl)phenol

IUPAC name

24-dibromo-6-(78-dimethyl-35-dihydro-1H-24-benzodithiepin-3-yl)phenol

SMILES

Cc1cc(CSC(c2cc(Br)cc(Br)c2O)SC2)c2cc1C

InChI

InChI=1S/C17H16Br2OS2/c1-9-3-11-7-21-17(22-8-12(11)4-10(9)2)14-5-13(18)6-15(19)16(14)20/h3-6,17,20H,7-8H2,1-2H3

InChI Key

CUPPDGXDDGSZIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01855322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

7.128

Distribution Coefficient, logD

7.118

Water Solubility, LogSw

-5.72

Polar Surface Area

15.698

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

2729-1073 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2729-1073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-1073?
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What is the minimum amount of 2729-1073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-1073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-1073
  • 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 2729-1073 available by request