8017-9597 Screening compound: N~1~-(4-(dimethylamino)-6-{[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]methyl}-1,3,5-triazin-2-yl)acetamide

8017-9597 Screening compound: N~1~-(4-(dimethylamino)-6-{[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]methyl}-1,3,5-triazin-2-yl)acetamide
8017-9597 Screening compound: N~1~-(4-(dimethylamino)-6-{[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]methyl}-1,3,5-triazin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9597
N~1~-(4-(dimethylamino)-6-{[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]methyl}-1,3,5-triazin-2-yl)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

8017-9597

Molecular Formula

C14H20N8O3S (C14 H20 N8 O3 S)

Compound Name

N~1~-(4-(dimethylamino)-6-{[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]methyl}-1,3,5-triazin-2-yl)acetamide

IUPAC name

N-[4-(dimethylamino)-6-({[4-(morpholin-4-yl)-125-thiadiazol-3-yl]oxy}methyl)-135-triazin-2-yl]acetamide

SMILES

CC(Nc1nc(COc2nsnc2N2CCOCC2)nc(N(C)C)n1)=O

InChI

InChI=1S/C14H20N8O3S/c1-9(23)15-13-16-10(17-14(18-13)21(2)3)8-25-12-11(19-26-20-12)22-4-6-24-7-5-22/h4-8H2,1-3H3,(H,15,16,17,18,23)

InChI Key

YHPKHHRISMEIJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06619496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.720

Distribution Coefficient, logD

1.602

Water Solubility, LogSw

-2.53

Polar Surface Area

96.983

Acid Dissociation Constant (pKa)

7.91

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

8017-9597 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8017-9597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9597?
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What is the minimum amount of 8017-9597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9597
  • 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 8017-9597 available by request