D422-3213 Screening compound: N-[1-(4-chlorophenyl)ethyl]-3-{3-[6-methyl-2-oxo-1-(propan-2-yl)-1,2-dihydropyridin-3-yl]-1,2,4-oxadiazol-5-yl}propanamide

D422-3213 Screening compound: N-[1-(4-chlorophenyl)ethyl]-3-{3-[6-methyl-2-oxo-1-(propan-2-yl)-1,2-dihydropyridin-3-yl]-1,2,4-oxadiazol-5-yl}propanamide
D422-3213 Screening compound: N-[1-(4-chlorophenyl)ethyl]-3-{3-[6-methyl-2-oxo-1-(propan-2-yl)-1,2-dihydropyridin-3-yl]-1,2,4-oxadiazol-5-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D422-3213
N-[1-(4-chlorophenyl)ethyl]-3-{3-[6-methyl-2-oxo-1-(propan-2-yl)-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

D422-3213

Molecular Formula

C22H25ClN4O3 (C22 H25 ClN4 O3)

Compound Name

N-[1-(4-chlorophenyl)ethyl]-3-{3-[6-methyl-2-oxo-1-(propan-2-yl)-1,2-dihydropyridin-3-yl]-1,2,4-oxadiazol-5-yl}propanamide

IUPAC name

N-[1-(4-chlorophenyl)ethyl]-3-{3-[6-methyl-2-oxo-1-(propan-2-yl)-12-dihydropyridin-3-yl]-124-oxadiazol-5-yl}propanamide

SMILES

CC(C)N(C(C)=CC=C1c2noc(CCC(NC(C)c(cc3)ccc3Cl)=O)n2)C1=O

InChI

InChI=1S/C22H25ClN4O3/c1-13(2)27-14(3)5-10-18(22(27)29)21-25-20(30-26-21)12-11-19(28)24-15(4)16-6-8-17(23)9-7-16/h5-10,13,15H,11-12H2,1-4H3,(H,24,28)/t15-/m0/s1

InChI Key

RNPKHAOPYVDBCJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27585251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.605

Distribution Coefficient, logD

3.605

Water Solubility, LogSw

-4.20

Polar Surface Area

70.125

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

D422-3213 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D422-3213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D422-3213?
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What is the minimum amount of D422-3213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D422-3213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D422-3213
  • 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 D422-3213 available by request