D421-1809 Screening compound: 3,4-dimethylphenyl 2-({5-[(phenylformamido)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate

D421-1809 Screening compound: 3,4-dimethylphenyl 2-({5-[(phenylformamido)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate
D421-1809 Screening compound: 3,4-dimethylphenyl 2-({5-[(phenylformamido)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D421-1809
3,4-dimethylphenyl 2-({5-[(phenylformamido)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate

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

D421-1809

Molecular Formula

C20H19N3O4S (C20 H19 N3 O4 S)

Compound Name

3,4-dimethylphenyl 2-({5-[(phenylformamido)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate

IUPAC name

34-dimethylphenyl 2-({5-[(phenylformamido)methyl]-134-oxadiazol-2-yl}sulfanyl)acetate

SMILES

Cc(cc1)c(C)cc1OC(CSc1nnc(CNC(c2ccccc2)=O)o1)=O

InChI

InChI=1S/C20H19N3O4S/c1-13-8-9-16(10-14(13)2)26-18(24)12-28-20-23-22-17(27-20)11-21-19(25)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,21,25)

InChI Key

QKXWIISKTPUDJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.267

Distribution Coefficient, logD

3.267

Water Solubility, LogSw

-3.59

Polar Surface Area

74.469

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

-4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D421-1809 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D421-1809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D421-1809?
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What is the minimum amount of D421-1809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D421-1809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D421-1809
  • 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 D421-1809 available by request