K781-1382 Screening compound: ethyl 4-[3-nitro-4-(3-nitrophenoxy)benzamido]piperidine-1-carboxylate

K781-1382 Screening compound: ethyl 4-[3-nitro-4-(3-nitrophenoxy)benzamido]piperidine-1-carboxylate
K781-1382 Screening compound: ethyl 4-[3-nitro-4-(3-nitrophenoxy)benzamido]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1382
ethyl 4-[3-nitro-4-(3-nitrophenoxy)benzamido]piperidine-1-carboxylate

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

K781-1382

Molecular Formula

C21H22N4O8 (C21 H22 N4 O8)

Compound Name

ethyl 4-[3-nitro-4-(3-nitrophenoxy)benzamido]piperidine-1-carboxylate

IUPAC name

ethyl 4-[3-nitro-4-(3-nitrophenoxy)benzamido]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c(cc1)cc([N+]([O-])=O)c1Oc1cc([N+]([O-])=O)ccc1)=O)=O

InChI

InChI=1S/C21H22N4O8/c1-2-32-21(27)23-10-8-15(9-11-23)22-20(26)14-6-7-19(18(12-14)25(30)31)33-17-5-3-4-16(13-17)24(28)29/h3-7,12-13,15H,2,8-11H2,1H3,(H,22,26)

InChI Key

LXDHVFGBPNTWKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02653164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.43

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.158

Distribution Coefficient, logD

3.158

Water Solubility, LogSw

-3.60

Polar Surface Area

120.454

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with K781-1382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1382?
Check Price and Availability of K781-1382, 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 K781-1382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1382
  • 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 K781-1382 available by request