D283-0101 Screening compound: 2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)-N-(1-{[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]oxy}propan-2-yl)acetamide

D283-0101 Screening compound: 2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)-N-(1-{[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]oxy}propan-2-yl)acetamide
D283-0101 Screening compound: 2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)-N-(1-{[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]oxy}propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D283-0101
2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)-N-(1-{[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]oxy}propan-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

D283-0101

Molecular Formula

C18H16N6O4S (C18 H16 N6 O4 S)

Compound Name

2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)-N-(1-{[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]oxy}propan-2-yl)acetamide

IUPAC name

2-(4-oxo-34-dihydro-123-benzotriazin-3-yl)-N-(1-{[5-(thiophen-2-yl)-134-oxadiazol-2-yl]oxy}propan-2-yl)acetamide

SMILES

CC(COc1nnc(-c2cccs2)o1)NC(CN1N=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C18H16N6O4S/c1-11(10-27-18-22-21-16(28-18)14-7-4-8-29-14)19-15(25)9-24-17(26)12-5-2-3-6-13(12)20-23-24/h2-8,11H,9-10H2,1H3,(H,19,25)/t11-/m0/s1

InChI Key

FKAPGKFNTVTSRK-NSHDSACASA-N

MDL Number (MFCD)

MFCD14816734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.825

Distribution Coefficient, logD

1.825

Water Solubility, LogSw

-2.83

Polar Surface Area

103.727

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

D283-0101 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 D283-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D283-0101?
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What is the minimum amount of D283-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D283-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D283-0101
  • 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 D283-0101 available by request