K783-4553 Screening compound: methyl 3-{[(4-chlorophenyl)carbamoyl]amino}-4-(4-methylpiperidin-1-yl)benzoate

K783-4553 Screening compound: methyl 3-{[(4-chlorophenyl)carbamoyl]amino}-4-(4-methylpiperidin-1-yl)benzoate
K783-4553 Screening compound: methyl 3-{[(4-chlorophenyl)carbamoyl]amino}-4-(4-methylpiperidin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-4553
methyl 3-{[(4-chlorophenyl)carbamoyl]amino}-4-(4-methylpiperidin-1-yl)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

K783-4553

Molecular Formula

C21H24ClN3O3 (C21 H24 ClN3 O3)

Compound Name

methyl 3-{[(4-chlorophenyl)carbamoyl]amino}-4-(4-methylpiperidin-1-yl)benzoate

IUPAC name

methyl 3-{[(4-chlorophenyl)carbamoyl]amino}-4-(4-methylpiperidin-1-yl)benzoate

SMILES

CC(CC1)CCN1c(ccc(C(OC)=O)c1)c1NC(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C21H24ClN3O3/c1-14-9-11-25(12-10-14)19-8-3-15(20(26)28-2)13-18(19)24-21(27)23-17-6-4-16(22)5-7-17/h3-8,13-14H,9-12H2,1-2H3,(H2,23,24,27)

InChI Key

CXIGVQPCVPKKIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15096072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.745

Distribution Coefficient, logD

5.745

Water Solubility, LogSw

-6.09

Polar Surface Area

56.169

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K783-4553 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Targeted Diversity Library (40567 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Targets:
  • Others

References: we are preparing a list of scientific research reports with K783-4553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-4553?
Check Price and Availability of K783-4553, 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 K783-4553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-4553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-4553
  • 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 K783-4553 available by request