4872-0263 Screening compound: N-tert-butyl-2-nitro-2-[(2Z)-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]acetamide

4872-0263 Screening compound: N-tert-butyl-2-nitro-2-[(2Z)-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]acetamide
4872-0263 Screening compound: N-tert-butyl-2-nitro-2-[(2Z)-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4872-0263
N-tert-butyl-2-nitro-2-[(2Z)-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]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

4872-0263

Molecular Formula

C13H15N5O5 (C13 H15 N5 O5)

Compound Name

N-tert-butyl-2-nitro-2-[(2Z)-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]acetamide

IUPAC name

N-tert-butyl-2-nitro-2-[(2Z)-5-nitro-23-dihydro-1H-13-benzodiazol-2-ylidene]acetamide

SMILES

CC(C)(C)NC(/C(/[N+]([O-])=O)=C1/Nc(cc(cc2)[N+]([O-])=O)c2N1)=O

InChI

InChI=1S/C13H15N5O5/c1-13(2,3)16-12(19)10(18(22)23)11-14-8-5-4-7(17(20)21)6-9(8)15-11/h4-6,14-15H,1-3H3,(H,16,19)

InChI Key

BCTUJUIENUNROO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.29

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.350

Distribution Coefficient, logD

1.711

Water Solubility, LogSw

-2.98

Polar Surface Area

112.006

Acid Dissociation Constant (pKa)

6.87

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 4872-0263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4872-0263?
Check Price and Availability of 4872-0263, 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 4872-0263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4872-0263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4872-0263
  • 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 4872-0263 available by request