C614-5461 Screening compound: tert-butyl 4-{6-[(3,5-dichlorophenyl)carbamoyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl}piperidine-1-carboxylate

C614-5461 Screening compound: tert-butyl 4-{6-[(3,5-dichlorophenyl)carbamoyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl}piperidine-1-carboxylate
C614-5461 Screening compound: tert-butyl 4-{6-[(3,5-dichlorophenyl)carbamoyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5461
tert-butyl 4-{6-[(3,5-dichlorophenyl)carbamoyl]-2-(4-methoxyphenyl)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

C614-5461

Molecular Formula

C30H31Cl2N5O4 (C30 H31 Cl2 N5 O4)

Compound Name

tert-butyl 4-{6-[(3,5-dichlorophenyl)carbamoyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl}piperidine-1-carboxylate

IUPAC name

tert-butyl 4-{6-[(35-dichlorophenyl)carbamoyl]-2-(4-methoxyphenyl)pyrazolo[15-a]pyrimidin-5-yl}piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c1nc2cc(-c(cc3)ccc3OC)nn2cc1C(Nc1cc(Cl)cc(Cl)c1)=O)=O

InChI

InChI=1S/C30H31Cl2N5O4/c1-30(2,3)41-29(39)36-11-9-19(10-12-36)27-24(28(38)33-22-14-20(31)13-21(32)15-22)17-37-26(34-27)16-25(35-37)18-5-7-23(40-4)8-6-18/h5-8,13-17,19H,9-12H2,1-4H3,(H,33,38)

InChI Key

JRMCXMFWSMGLGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

596.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.977

Distribution Coefficient, logD

7.578

Water Solubility, LogSw

-6.44

Polar Surface Area

72.878

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C614-5461 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 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

References: we are preparing a list of scientific research reports with C614-5461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5461?
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What is the minimum amount of C614-5461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5461
  • 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 C614-5461 available by request