D400-6535 Screening compound: N-benzyl-3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-methylbenzene-1-sulfonamide

D400-6535 Screening compound: N-benzyl-3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-methylbenzene-1-sulfonamide
D400-6535 Screening compound: N-benzyl-3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-6535
N-benzyl-3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-methylbenzene-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

D400-6535

Molecular Formula

C21H25N3O4S (C21 H25 N3 O4 S)

Compound Name

N-benzyl-3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-methylbenzene-1-sulfonamide

IUPAC name

N-benzyl-3-(5-tert-butyl-124-oxadiazol-3-yl)-4-methoxy-N-methylbenzene-1-sulfonamide

SMILES

CC(C)(C)c1nc(-c(cc(cc2)S(N(C)Cc3ccccc3)(=O)=O)c2OC)no1

InChI

InChI=1S/C21H25N3O4S/c1-21(2,3)20-22-19(23-28-20)17-13-16(11-12-18(17)27-5)29(25,26)24(4)14-15-9-7-6-8-10-15/h6-13H,14H2,1-5H3

InChI Key

ICFGAHFPZPMONY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.536

Distribution Coefficient, logD

4.536

Water Solubility, LogSw

-4.52

Polar Surface Area

72.110

Acid Dissociation Constant (pKa)

27.18

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D400-6535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-6535?
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What is the minimum amount of D400-6535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-6535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-6535
  • 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 D400-6535 available by request