2291-2812 Screening compound: 3,4,5-trimethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide

2291-2812 Screening compound: 3,4,5-trimethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
2291-2812 Screening compound: 3,4,5-trimethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2291-2812
3,4,5-trimethoxy-N-[5-(3-nitrophenyl)-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

2291-2812

Molecular Formula

C18H16N4O6S (C18 H16 N4 O6 S)

Compound Name

3,4,5-trimethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

345-trimethoxy-N-[5-(3-nitrophenyl)-134-thiadiazol-2-yl]benzamide

SMILES

COc1cc(C(Nc2nnc(-c3cc([N+]([O-])=O)ccc3)s2)=O)cc(OC)c1OC

InChI

InChI=1S/C18H16N4O6S/c1-26-13-8-11(9-14(27-2)15(13)28-3)16(23)19-18-21-20-17(29-18)10-5-4-6-12(7-10)22(24)25/h4-9H,1-3H3,(H,19,21,23)

InChI Key

HGRBRVHNIWTZAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02034120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.538

Distribution Coefficient, logD

3.538

Water Solubility, LogSw

-3.85

Polar Surface Area

102.962

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 2291-2812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2291-2812?
Check Price and Availability of 2291-2812, 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 2291-2812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2291-2812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2291-2812
  • 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 2291-2812 available by request