D400-6545 Screening compound: 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-(3,5-dimethylphenyl)-4-methoxybenzene-1-sulfonamide

D400-6545 Screening compound: 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-(3,5-dimethylphenyl)-4-methoxybenzene-1-sulfonamide
D400-6545 Screening compound: 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-(3,5-dimethylphenyl)-4-methoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-6545
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-(3,5-dimethylphenyl)-4-methoxybenzene-1-sulfonamide

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

D400-6545

Molecular Formula

C21H25N3O4S (C21 H25 N3 O4 S)

Compound Name

3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-(3,5-dimethylphenyl)-4-methoxybenzene-1-sulfonamide

IUPAC name

3-(5-tert-butyl-124-oxadiazol-3-yl)-N-(35-dimethylphenyl)-4-methoxybenzene-1-sulfonamide

SMILES

CC(C)(C)c1nc(-c(cc(cc2)S(Nc3cc(C)cc(C)c3)(=O)=O)c2OC)no1

InChI

InChI=1S/C21H25N3O4S/c1-13-9-14(2)11-15(10-13)24-29(25,26)16-7-8-18(27-6)17(12-16)19-22-20(28-23-19)21(3,4)5/h7-12,24H,1-6H3

InChI Key

ILLTVZKKQOPIHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.879

Distribution Coefficient, logD

4.879

Water Solubility, LogSw

-4.71

Polar Surface Area

80.196

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D400-6545 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with D400-6545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-6545?
Check Price and Availability of D400-6545, 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 D400-6545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-6545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-6545
  • 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 D400-6545 available by request