D256-0652 Screening compound: 5-(azepane-1-carbonyl)-1-(4-bromobenzenesulfonyl)-2,3-dihydro-1H-indole

D256-0652 Screening compound: 5-(azepane-1-carbonyl)-1-(4-bromobenzenesulfonyl)-2,3-dihydro-1H-indole
D256-0652 Screening compound: 5-(azepane-1-carbonyl)-1-(4-bromobenzenesulfonyl)-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound D256-0652
5-(azepane-1-carbonyl)-1-(4-bromobenzenesulfonyl)-2,3-dihydro-1H-indole

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

D256-0652

Molecular Formula

C21H23BrN2O3S (C21 H23 BrN2 O3 S)

Compound Name

5-(azepane-1-carbonyl)-1-(4-bromobenzenesulfonyl)-2,3-dihydro-1H-indole

IUPAC name

5-(azepane-1-carbonyl)-1-(4-bromobenzenesulfonyl)-23-dihydro-1H-indole

SMILES

O=C(c(cc1)cc(CC2)c1N2S(c(cc1)ccc1Br)(=O)=O)N1CCCCCC1

InChI

InChI=1S/C21H23BrN2O3S/c22-18-6-8-19(9-7-18)28(26,27)24-14-11-16-15-17(5-10-20(16)24)21(25)23-12-3-1-2-4-13-23/h5-10,15H,1-4,11-14H2

InChI Key

LHOLZLYINFRBAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09670251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.288

Distribution Coefficient, logD

4.288

Water Solubility, LogSw

-4.26

Polar Surface Area

48.736

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with D256-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D256-0652?
Check Price and Availability of D256-0652, 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 D256-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D256-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D256-0652
  • 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 D256-0652 available by request