1127-1195 Screening compound: 1-methyl 4-[3-(5-nitro-1H-1,3-benzodiazol-2-yl)propyl] benzene-1,4-dicarboxylate

1127-1195 Screening compound: 1-methyl 4-[3-(5-nitro-1H-1,3-benzodiazol-2-yl)propyl] benzene-1,4-dicarboxylate
1127-1195 Screening compound: 1-methyl 4-[3-(5-nitro-1H-1,3-benzodiazol-2-yl)propyl] benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1127-1195
1-methyl 4-[3-(5-nitro-1H-1,3-benzodiazol-2-yl)propyl] benzene-1,4-dicarboxylate

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

1127-1195

Molecular Formula

C19H17N3O6 (C19 H17 N3 O6)

Compound Name

1-methyl 4-[3-(5-nitro-1H-1,3-benzodiazol-2-yl)propyl] benzene-1,4-dicarboxylate

IUPAC name

1-methyl 4-[3-(5-nitro-1H-13-benzodiazol-2-yl)propyl] benzene-14-dicarboxylate

SMILES

COC(c(cc1)ccc1C(OCCCc1nc(cc(cc2)[N+]([O-])=O)c2[nH]1)=O)=O

InChI

InChI=1S/C19H17N3O6/c1-27-18(23)12-4-6-13(7-5-12)19(24)28-10-2-3-17-20-15-9-8-14(22(25)26)11-16(15)21-17/h4-9,11H,2-3,10H2,1H3,(H,20,21)

InChI Key

TVQCDJPCZHZXLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00689569

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

383.36

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.270

Distribution Coefficient, logD

4.256

Water Solubility, LogSw

-4.47

Polar Surface Area

95.852

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 1127-1195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1127-1195?
Check Price and Availability of 1127-1195, 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 1127-1195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1127-1195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1127-1195
  • 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 1127-1195 available by request