Y041-4614 Screening compound: 5-carbamimidamido-2-(4-methylbenzenesulfonamido)pentanoic acid

Y041-4614 Screening compound: 5-carbamimidamido-2-(4-methylbenzenesulfonamido)pentanoic acid
Y041-4614 Screening compound: 5-carbamimidamido-2-(4-methylbenzenesulfonamido)pentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4614
5-carbamimidamido-2-(4-methylbenzenesulfonamido)pentanoic acid

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

Y041-4614

Molecular Formula

C13H20N4O4S (C13 H20 N4 O4 S)

Compound Name

5-carbamimidamido-2-(4-methylbenzenesulfonamido)pentanoic acid

IUPAC name

(2S)-5-carbamimidamido-2-(4-methylbenzenesulfonamido)pentanoic acid

SMILES

Cc(cc1)ccc1S(NC(CCCNC(N)=N)C(O)=O)(=O)=O

InChI

InChI=1S/C13H20N4O4S/c1-9-4-6-10(7-5-9)22(20,21)17-11(12(18)19)3-2-8-16-13(14)15/h4-7,11,17H,2-3,8H2,1H3,(H,18,19)(H4,14,15,16)/t11-/m0/s1

InChI Key

KFNRNFXZFIRNEO-NSHDSACASA-N

MDL Number (MFCD)

MFCD00136703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.471

Distribution Coefficient, logD

-0.471

Water Solubility, LogSw

-1.82

Polar Surface Area

120.521

Acid Dissociation Constant (pKa)

3.64

Base Dissociation Constant (pKb)

12.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

Y041-4614 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y041-4614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4614?
Check Price and Availability of Y041-4614, 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 Y041-4614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4614
  • 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 Y041-4614 available by request