0800-1193 Screening compound: 2-nitro-N-{5-[(E)-[(5-nitrothiophen-2-yl)methylidene]amino]-1,3,4-thiadiazol-2-yl}benzamide

0800-1193 Screening compound: 2-nitro-N-{5-[(E)-[(5-nitrothiophen-2-yl)methylidene]amino]-1,3,4-thiadiazol-2-yl}benzamide
0800-1193 Screening compound: 2-nitro-N-{5-[(E)-[(5-nitrothiophen-2-yl)methylidene]amino]-1,3,4-thiadiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0800-1193
2-nitro-N-{5-[(E)-[(5-nitrothiophen-2-yl)methylidene]amino]-1,3,4-thiadiazol-2-yl}benzamide

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

0800-1193

Molecular Formula

C14H8N6O5S2 (C14 H8 N6 O5 S2)

Compound Name

2-nitro-N-{5-[(E)-[(5-nitrothiophen-2-yl)methylidene]amino]-1,3,4-thiadiazol-2-yl}benzamide

IUPAC name

2-nitro-N-{5-[(E)-[(5-nitrothiophen-2-yl)methylidene]amino]-134-thiadiazol-2-yl}benzamide

SMILES

[O-][N+](c1ccc(/C=N/c2nnc(NC(c(cccc3)c3[N+]([O-])=O)=O)s2)s1)=O

InChI

InChI=1S/C14H8N6O5S2/c21-12(9-3-1-2-4-10(9)19(22)23)16-14-18-17-13(27-14)15-7-8-5-6-11(26-8)20(24)25/h1-7H,(H,16,18,21)

InChI Key

QMXJJQZQYINMPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.39

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.364

Distribution Coefficient, logD

-0.198

Water Solubility, LogSw

-4.08

Polar Surface Area

122.875

Acid Dissociation Constant (pKa)

3.84

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0800-1193 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 0800-1193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0800-1193?
Check Price and Availability of 0800-1193, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0800-1193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0800-1193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0800-1193
  • 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 0800-1193 available by request