ZC47-0111 Screening compound: 3-[4-(5-{[(3-carboxyphenyl)methyl]carbamoyl}-2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzoic acid

ZC47-0111 Screening compound: 3-[4-(5-{[(3-carboxyphenyl)methyl]carbamoyl}-2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzoic acid
ZC47-0111 Screening compound: 3-[4-(5-{[(3-carboxyphenyl)methyl]carbamoyl}-2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound ZC47-0111
3-[4-(5-{[(3-carboxyphenyl)methyl]carbamoyl}-2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzoic 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

ZC47-0111

Molecular Formula

C27H26N4O6 (C27 H26 N4 O6)

Compound Name

3-[4-(5-{[(3-carboxyphenyl)methyl]carbamoyl}-2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzoic acid

IUPAC name

3-[4-(5-{[(3-carboxyphenyl)methyl]carbamoyl}-2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzoic acid

SMILES

Cc1ncc(C(NCc2cc(C(O)=O)ccc2)=O)c(C(CC2)CCN2C(c2cccc(C(O)=O)c2)=O)n1

InChI

InChI=1S/C27H26N4O6/c1-16-28-15-22(24(32)29-14-17-4-2-6-20(12-17)26(34)35)23(30-16)18-8-10-31(11-9-18)25(33)19-5-3-7-21(13-19)27(36)37/h2-7,12-13,15,18H,8-11,14H2,1H3,(H,29,32)(H,34,35)(H,36,37)

InChI Key

SCCUJZRFOGFFJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31958124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.994

Distribution Coefficient, logD

-0.766

Water Solubility, LogSw

-3.08

Polar Surface Area

117.321

Acid Dissociation Constant (pKa)

3.64

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.93

ZC47-0111 in Drug Discovery

Included in Screening Libraries

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with ZC47-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound ZC47-0111?
Check Price and Availability of ZC47-0111, 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 ZC47-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for ZC47-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for ZC47-0111
  • 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 ZC47-0111 available by request