K784-5610 Screening compound: methyl 4-(dipropylamino)-3-{[(2-methoxyphenyl)carbamothioyl]amino}benzoate

K784-5610 Screening compound: methyl 4-(dipropylamino)-3-{[(2-methoxyphenyl)carbamothioyl]amino}benzoate
K784-5610 Screening compound: methyl 4-(dipropylamino)-3-{[(2-methoxyphenyl)carbamothioyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5610
methyl 4-(dipropylamino)-3-{[(2-methoxyphenyl)carbamothioyl]amino}benzoate

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

K784-5610

Molecular Formula

C22H29N3O3S (C22 H29 N3 O3 S)

Compound Name

methyl 4-(dipropylamino)-3-{[(2-methoxyphenyl)carbamothioyl]amino}benzoate

IUPAC name

methyl 4-(dipropylamino)-3-{[(2-methoxyphenyl)carbamothioyl]amino}benzoate

SMILES

CCCN(CCC)c(ccc(C(OC)=O)c1)c1NC(Nc(cccc1)c1OC)=S

InChI

InChI=1S/C22H29N3O3S/c1-5-13-25(14-6-2)19-12-11-16(21(26)28-4)15-18(19)24-22(29)23-17-9-7-8-10-20(17)27-3/h7-12,15H,5-6,13-14H2,1-4H3,(H2,23,24,29)

InChI Key

XFNYQBDNLIESEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.962

Distribution Coefficient, logD

5.955

Water Solubility, LogSw

-5.54

Polar Surface Area

49.412

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

8.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

K784-5610 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K784-5610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5610?
Check Price and Availability of K784-5610, 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 K784-5610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5610
  • 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 K784-5610 available by request