4877-0115 Screening compound: N-[4-(carbamimidamidosulfonyl)phenyl]-3-nitrobenzamide

4877-0115 Screening compound: N-[4-(carbamimidamidosulfonyl)phenyl]-3-nitrobenzamide
4877-0115 Screening compound: N-[4-(carbamimidamidosulfonyl)phenyl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4877-0115
N-[4-(carbamimidamidosulfonyl)phenyl]-3-nitrobenzamide

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

4877-0115

Molecular Formula

C14H13N5O5S (C14 H13 N5 O5 S)

Compound Name

N-[4-(carbamimidamidosulfonyl)phenyl]-3-nitrobenzamide

IUPAC name

N-[4-(carbamimidamidosulfonyl)phenyl]-3-nitrobenzamide

SMILES

NC(NS(c(cc1)ccc1NC(c1cc([N+]([O-])=O)ccc1)=O)(=O)=O)=N

InChI

InChI=1S/C14H13N5O5S/c15-14(16)18-25(23,24)12-6-4-10(5-7-12)17-13(20)9-2-1-3-11(8-9)19(21)22/h1-8H,(H,17,20)(H4,15,16,18)

InChI Key

LDYOWKUIGHABAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.35

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.684

Distribution Coefficient, logD

0.684

Water Solubility, LogSw

-2.45

Polar Surface Area

137.285

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4877-0115 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4877-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4877-0115?
Check Price and Availability of 4877-0115, 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 4877-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4877-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4877-0115
  • 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 4877-0115 available by request