0800-1202 Screening compound: 3,5-dinitro-N-{5-[(E)-[(5-nitrothiophen-2-yl)methylidene]amino]-1,3,4-thiadiazol-2-yl}benzamide

0800-1202 Screening compound: 3,5-dinitro-N-{5-[(E)-[(5-nitrothiophen-2-yl)methylidene]amino]-1,3,4-thiadiazol-2-yl}benzamide
0800-1202 Screening compound: 3,5-dinitro-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 0800-1202
3,5-dinitro-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

0800-1202

Molecular Formula

C14H7N7O7S2 (C14 H7 N7 O7 S2)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1ccc(/C=N/c2nnc(NC(c3cc([N+]([O-])=O)cc([N+]([O-])=O)c3)=O)s2)s1)=O

InChI

InChI=1S/C14H7N7O7S2/c22-12(7-3-8(19(23)24)5-9(4-7)20(25)26)16-14-18-17-13(30-14)15-6-10-1-2-11(29-10)21(27)28/h1-6H,(H,16,18,22)

InChI Key

TXCCQETZKOADMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.38

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

3.640

Distribution Coefficient, logD

0.252

Water Solubility, LogSw

-4.01

Polar Surface Area

156.557

Acid Dissociation Constant (pKa)

4.01

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0800-1202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0800-1202?
Check Price and Availability of 0800-1202, 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 0800-1202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0800-1202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0800-1202
  • 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 0800-1202 available by request