8017-3734 Screening compound: N~1~-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]acetamide

8017-3734 Screening compound: N~1~-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]acetamide
8017-3734 Screening compound: N~1~-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3734
N~1~-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]acetamide

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

8017-3734

Molecular Formula

C19H22N6O4S (C19 H22 N6 O4 S)

Compound Name

N~1~-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]acetamide

IUPAC name

N-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-2-{[4-(morpholin-4-yl)-125-thiadiazol-3-yl]oxy}acetamide

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(COc1nsnc1N1CCOCC1)=O

InChI

InChI=1S/C19H22N6O4S/c1-13-16(19(27)25(23(13)2)14-6-4-3-5-7-14)20-15(26)12-29-18-17(21-30-22-18)24-8-10-28-11-9-24/h3-7H,8-12H2,1-2H3,(H,20,26)

InChI Key

VVNZOKCTCXNQQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.270

Distribution Coefficient, logD

1.225

Water Solubility, LogSw

-2.00

Polar Surface Area

83.529

Acid Dissociation Constant (pKa)

8.36

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

8017-3734 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8017-3734 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8017-3734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3734
  • 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 8017-3734 available by request