D735-0052 Screening compound: 2,2-dimethyl-N~6~-(3-methylphenyl)-6-chromanesulfonamide

D735-0052 Screening compound: 2,2-dimethyl-N~6~-(3-methylphenyl)-6-chromanesulfonamide
D735-0052 Screening compound: 2,2-dimethyl-N~6~-(3-methylphenyl)-6-chromanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D735-0052
2,2-dimethyl-N~6~-(3-methylphenyl)-6-chromanesulfonamide

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

D735-0052

Molecular Formula

C18H21NO3S (C18 H21 NO3 S)

Compound Name

2,2-dimethyl-N~6~-(3-methylphenyl)-6-chromanesulfonamide

IUPAC name

22-dimethyl-N-(3-methylphenyl)-34-dihydro-2H-1-benzopyran-6-sulfonamide

SMILES

CC(C)(CC1)Oc(cc2)c1cc2S(Nc1cc(C)ccc1)(=O)=O

InChI

InChI=1S/C18H21NO3S/c1-13-5-4-6-15(11-13)19-23(20,21)16-7-8-17-14(12-16)9-10-18(2,3)22-17/h4-8,11-12,19H,9-10H2,1-3H3

InChI Key

DMSDFOCJCXKPEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD24850355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.400

Distribution Coefficient, logD

4.399

Water Solubility, LogSw

-4.39

Polar Surface Area

47.221

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

-10.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

D735-0052 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D735-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D735-0052?
Check Price and Availability of D735-0052, 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 D735-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D735-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D735-0052
  • 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 D735-0052 available by request