4533-0261 Screening compound: 5-carbamimidamido-2-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}-N-(4-nitrophenyl)pentanamide

4533-0261 Screening compound: 5-carbamimidamido-2-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}-N-(4-nitrophenyl)pentanamide
4533-0261 Screening compound: 5-carbamimidamido-2-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}-N-(4-nitrophenyl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4533-0261
5-carbamimidamido-2-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}-N-(4-nitrophenyl)pentanamide

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

4533-0261

Molecular Formula

C19H24N6O7 (C19 H24 N6 O7)

Compound Name

5-carbamimidamido-2-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}-N-(4-nitrophenyl)pentanamide

IUPAC name

5-carbamimidamido-2-{[(22-dimethyl-46-dioxo-13-dioxan-5-ylidene)methyl]amino}-N-(4-nitrophenyl)pentanamide

SMILES

CC(C)(OC(C1=CNC(CCCNC(N)=N)C(Nc(cc2)ccc2[N+]([O-])=O)=O)=O)OC1=O

InChI

InChI=1S/C19H24N6O7/c1-19(2)31-16(27)13(17(28)32-19)10-23-14(4-3-9-22-18(20)21)15(26)24-11-5-7-12(8-6-11)25(29)30/h5-8,10,14,23H,3-4,9H2,1-2H3,(H,24,26)(H4,20,21,22)/t14-/m0/s1

InChI Key

ZYPAWFIMSKABGV-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14710119

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

448.44

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

-0.132

Distribution Coefficient, logD

-5.240

Water Solubility, LogSw

-1.94

Polar Surface Area

160.742

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

12.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

4533-0261 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4533-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4533-0261?
Check Price and Availability of 4533-0261, 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 4533-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4533-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4533-0261
  • 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 4533-0261 available by request