C614-5491 Screening compound: tert-butyl 4-[2-(4-ethoxyphenyl)-6-[(2,4,6-trimethylphenyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

C614-5491 Screening compound: tert-butyl 4-[2-(4-ethoxyphenyl)-6-[(2,4,6-trimethylphenyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
C614-5491 Screening compound: tert-butyl 4-[2-(4-ethoxyphenyl)-6-[(2,4,6-trimethylphenyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5491
tert-butyl 4-[2-(4-ethoxyphenyl)-6-[(2,4,6-trimethylphenyl)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

C614-5491

Molecular Formula

C34H41N5O4 (C34 H41 N5 O4)

Compound Name

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

IUPAC name

tert-butyl 4-[2-(4-ethoxyphenyl)-6-[(246-trimethylphenyl)carbamoyl]pyrazolo[15-a]pyrimidin-5-yl]piperidine-1-carboxylate

SMILES

CCOc(cc1)ccc1-c1nn(cc(C(Nc2c(C)cc(C)cc2C)=O)c(C(CC2)CCN2C(OC(C)(C)C)=O)n2)c2c1

InChI

InChI=1S/C34H41N5O4/c1-8-42-26-11-9-24(10-12-26)28-19-29-35-31(25-13-15-38(16-14-25)33(41)43-34(5,6)7)27(20-39(29)37-28)32(40)36-30-22(3)17-21(2)18-23(30)4/h9-12,17-20,25H,8,13-16H2,1-7H3,(H,36,40)

InChI Key

DLFOBPFCFJUAPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

583.73

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

7.209

Distribution Coefficient, logD

7.208

Water Solubility, LogSw

-5.46

Polar Surface Area

71.062

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

C614-5491 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 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 C614-5491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5491?
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What is the minimum amount of C614-5491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5491
  • 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 C614-5491 available by request