0945-0138 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,5-dinitrobenzamide

0945-0138 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,5-dinitrobenzamide
0945-0138 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0945-0138
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,5-dinitrobenzamide

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

0945-0138

Molecular Formula

C10H7N5O5S (C10 H7 N5 O5 S)

Compound Name

N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,5-dinitrobenzamide

IUPAC name

N-(5-methyl-134-thiadiazol-2-yl)-35-dinitrobenzamide

SMILES

Cc1nnc(NC(c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2)=O)s1

InChI

InChI=1S/C10H7N5O5S/c1-5-12-13-10(21-5)11-9(16)6-2-7(14(17)18)4-8(3-6)15(19)20/h2-4H,1H3,(H,11,13,16)

InChI Key

HKQLVSVRCAFLQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.26

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.912

Distribution Coefficient, logD

-1.037

Water Solubility, LogSw

-2.66

Polar Surface Area

113.444

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

0945-0138 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0945-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0945-0138?
Check Price and Availability of 0945-0138, 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 0945-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0945-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0945-0138
  • 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 0945-0138 available by request