8017-0477 Screening compound: 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N~1~-(5-nitro-1,3-thiazol-2-yl)acetamide

8017-0477 Screening compound: 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N~1~-(5-nitro-1,3-thiazol-2-yl)acetamide
8017-0477 Screening compound: 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N~1~-(5-nitro-1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0477
2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N~1~-(5-nitro-1,3-thiazol-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

8017-0477

Molecular Formula

C9H8N6O5S (C9 H8 N6 O5 S)

Compound Name

2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N~1~-(5-nitro-1,3-thiazol-2-yl)acetamide

IUPAC name

2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-nitro-13-thiazol-2-yl)acetamide

SMILES

Cc1cc([N+]([O-])=O)nn1CC(Nc1ncc([N+]([O-])=O)s1)=O

InChI

InChI=1S/C9H8N6O5S/c1-5-2-6(14(17)18)12-13(5)4-7(16)11-9-10-3-8(21-9)15(19)20/h2-3H,4H2,1H3,(H,10,11,16)

InChI Key

FOYYPFKFJJNMQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.27

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.253

Distribution Coefficient, logD

0.246

Water Solubility, LogSw

-2.49

Polar Surface Area

114.463

Acid Dissociation Constant (pKa)

6.44

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with 8017-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0477?
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What is the minimum amount of 8017-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0477
  • 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 8017-0477 available by request