C036-1011 Screening compound: 1-[(5-bromothiophen-2-yl)sulfonyl]-4-[(2,6-dichlorophenyl)methyl]-1,4-diazepane

C036-1011 Screening compound: 1-[(5-bromothiophen-2-yl)sulfonyl]-4-[(2,6-dichlorophenyl)methyl]-1,4-diazepane
C036-1011 Screening compound: 1-[(5-bromothiophen-2-yl)sulfonyl]-4-[(2,6-dichlorophenyl)methyl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound C036-1011
1-[(5-bromothiophen-2-yl)sulfonyl]-4-[(2,6-dichlorophenyl)methyl]-1,4-diazepane

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

C036-1011

Molecular Formula

C16H17BrCl2N2O2S2 (C16 H17 BrCl2 N2 O2 S2)

Compound Name

1-[(5-bromothiophen-2-yl)sulfonyl]-4-[(2,6-dichlorophenyl)methyl]-1,4-diazepane

IUPAC name

1-[(5-bromothiophen-2-yl)sulfonyl]-4-[(26-dichlorophenyl)methyl]-14-diazepane

SMILES

O=S(c(s1)ccc1Br)(N1CCN(Cc(c(Cl)ccc2)c2Cl)CCC1)=O

InChI

InChI=1S/C16H17BrCl2N2O2S2/c17-15-5-6-16(24-15)25(22,23)21-8-2-7-20(9-10-21)11-12-13(18)3-1-4-14(12)19/h1,3-6H,2,7-11H2

InChI Key

FTLPZLKPZGOWFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05026568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.660

Distribution Coefficient, logD

4.659

Water Solubility, LogSw

-4.79

Polar Surface Area

36.839

Acid Dissociation Constant (pKa)

27.10

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with C036-1011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C036-1011?
Check Price and Availability of C036-1011, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C036-1011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C036-1011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C036-1011
  • 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 C036-1011 available by request