C614-5566 Screening compound: tert-butyl 4-[2-(4-ethoxyphenyl)-6-[(3-fluoro-4-methylphenyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

C614-5566 Screening compound: tert-butyl 4-[2-(4-ethoxyphenyl)-6-[(3-fluoro-4-methylphenyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
C614-5566 Screening compound: tert-butyl 4-[2-(4-ethoxyphenyl)-6-[(3-fluoro-4-methylphenyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5566
tert-butyl 4-[2-(4-ethoxyphenyl)-6-[(3-fluoro-4-methylphenyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

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

C614-5566

Molecular Formula

C32H36FN5O4 (C32 H36 FN5 O4)

Compound Name

tert-butyl 4-[2-(4-ethoxyphenyl)-6-[(3-fluoro-4-methylphenyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[2-(4-ethoxyphenyl)-6-[(3-fluoro-4-methylphenyl)carbamoyl]pyrazolo[15-a]pyrimidin-5-yl]piperidine-1-carboxylate

SMILES

CCOc(cc1)ccc1-c1nn(cc(C(Nc2cc(F)c(C)cc2)=O)c(C(CC2)CCN2C(OC(C)(C)C)=O)n2)c2c1

InChI

InChI=1S/C32H36FN5O4/c1-6-41-24-11-8-21(9-12-24)27-18-28-35-29(22-13-15-37(16-14-22)31(40)42-32(3,4)5)25(19-38(28)36-27)30(39)34-23-10-7-20(2)26(33)17-23/h7-12,17-19,22H,6,13-16H2,1-5H3,(H,34,39)

InChI Key

OAKLJFMUIVFJSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

573.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.483

Distribution Coefficient, logD

7.471

Water Solubility, LogSw

-5.53

Polar Surface Area

72.458

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C614-5566 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C614-5566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5566?
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What is the minimum amount of C614-5566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5566
  • 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 C614-5566 available by request