2729-1070 Screening compound: 4-chloro-2-(7,8-dimethyl-3,5-dihydro-1H-2,4-benzodithiepin-3-yl)phenol

2729-1070 Screening compound: 4-chloro-2-(7,8-dimethyl-3,5-dihydro-1H-2,4-benzodithiepin-3-yl)phenol
2729-1070 Screening compound: 4-chloro-2-(7,8-dimethyl-3,5-dihydro-1H-2,4-benzodithiepin-3-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-1070
4-chloro-2-(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

2729-1070

Molecular Formula

C17H17ClOS2 (C17 H17 ClOS2)

Compound Name

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

IUPAC name

4-chloro-2-(78-dimethyl-35-dihydro-1H-24-benzodithiepin-3-yl)phenol

SMILES

Cc1cc(CSC(c(cc(cc2)Cl)c2O)SC2)c2cc1C

InChI

InChI=1S/C17H17ClOS2/c1-10-5-12-8-20-17(21-9-13(12)6-11(10)2)15-7-14(18)3-4-16(15)19/h3-7,17,19H,8-9H2,1-2H3

InChI Key

MODBECAJIBMXLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01830971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.91

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

6.242

Distribution Coefficient, logD

6.241

Water Solubility, LogSw

-6.01

Polar Surface Area

16.767

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 2729-1070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-1070?
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What is the minimum amount of 2729-1070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-1070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-1070
  • 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 2729-1070 available by request