5161-0064 Screening compound: propan-2-yl 2-{4-[(E)-N''-(4-chlorobenzenesulfonyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidamido]phenyl}acetate

5161-0064 Screening compound: propan-2-yl 2-{4-[(E)-N''-(4-chlorobenzenesulfonyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidamido]phenyl}acetate
5161-0064 Screening compound: propan-2-yl 2-{4-[(E)-N''-(4-chlorobenzenesulfonyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidamido]phenyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5161-0064
propan-2-yl 2-{4-[(E)-N''-(4-chlorobenzenesulfonyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidamido]phenyl}acetate

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

5161-0064

Molecular Formula

C24H26ClN5O4S (C24 H26 ClN5 O4 S)

Compound Name

propan-2-yl 2-{4-[(E)-N''-(4-chlorobenzenesulfonyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidamido]phenyl}acetate

IUPAC name

propan-2-yl 2-{4-[(E)-N''-(4-chlorobenzenesulfonyl)-N'-(46-dimethylpyrimidin-2-yl)carbamimidamido]phenyl}acetate

SMILES

CC(C)OC(Cc(cc1)ccc1N/C(/Nc1nc(C)cc(C)n1)=N\S(c(cc1)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C24H26ClN5O4S/c1-15(2)34-22(31)14-18-5-9-20(10-6-18)28-24(29-23-26-16(3)13-17(4)27-23)30-35(32,33)21-11-7-19(25)8-12-21/h5-13,15H,14H2,1-4H3,(H2,26,27,28,29,30)

InChI Key

AMTLPKLRAJIRIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03666083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.02

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.541

Distribution Coefficient, logD

4.541

Water Solubility, LogSw

-4.60

Polar Surface Area

96.987

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5161-0064 in Drug Discovery

Included in Screening Libraries

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 5161-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5161-0064?
Check Price and Availability of 5161-0064, 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 5161-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5161-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5161-0064
  • 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 5161-0064 available by request