D422-2777 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide

D422-2777 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
D422-2777 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D422-2777
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide

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

D422-2777

Molecular Formula

C18H22N6O3S (C18 H22 N6 O3 S)

Compound Name

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide

IUPAC name

N-(5-ethyl-134-thiadiazol-2-yl)-3-[3-(6-methyl-2-oxo-1-propyl-12-dihydropyridin-3-yl)-124-oxadiazol-5-yl]propanamide

SMILES

CCCN(C(C)=CC=C1c2noc(CCC(Nc3nnc(CC)s3)=O)n2)C1=O

InChI

InChI=1S/C18H22N6O3S/c1-4-10-24-11(3)6-7-12(17(24)26)16-20-14(27-23-16)9-8-13(25)19-18-22-21-15(5-2)28-18/h6-7H,4-5,8-10H2,1-3H3,(H,19,22,25)

InChI Key

BOVVQIQRTXOKBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27585215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.577

Distribution Coefficient, logD

2.490

Water Solubility, LogSw

-2.76

Polar Surface Area

93.938

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with D422-2777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D422-2777?
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What is the minimum amount of D422-2777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D422-2777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D422-2777
  • 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 D422-2777 available by request