3136-1480 Screening compound: methyl 3-(5,6-dimethyl-1H-1,3-benzodiazole-1-carbonyl)-5-nitrobenzoate

3136-1480 Screening compound: methyl 3-(5,6-dimethyl-1H-1,3-benzodiazole-1-carbonyl)-5-nitrobenzoate
3136-1480 Screening compound: methyl 3-(5,6-dimethyl-1H-1,3-benzodiazole-1-carbonyl)-5-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3136-1480
methyl 3-(5,6-dimethyl-1H-1,3-benzodiazole-1-carbonyl)-5-nitrobenzoate

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

3136-1480

Molecular Formula

C18H15N3O5 (C18 H15 N3 O5)

Compound Name

methyl 3-(5,6-dimethyl-1H-1,3-benzodiazole-1-carbonyl)-5-nitrobenzoate

IUPAC name

methyl 3-(56-dimethyl-1H-13-benzodiazole-1-carbonyl)-5-nitrobenzoate

SMILES

Cc(c(C)c1)cc2c1ncn2C(c1cc([N+]([O-])=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C18H15N3O5/c1-10-4-15-16(5-11(10)2)20(9-19-15)17(22)12-6-13(18(23)26-3)8-14(7-12)21(24)25/h4-9H,1-3H3

InChI Key

DJTAPIFGXDNIAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02007139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.504

Distribution Coefficient, logD

3.504

Water Solubility, LogSw

-3.70

Polar Surface Area

78.634

Acid Dissociation Constant (pKa)

26.75

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 3136-1480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3136-1480?
Check Price and Availability of 3136-1480, 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 3136-1480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3136-1480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3136-1480
  • 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 3136-1480 available by request