C614-5341 Screening compound: tert-butyl 4-{4-[(2,6-dimethoxyphenyl)carbamoyl]-1-[4-(propan-2-yl)phenyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate

C614-5341 Screening compound: tert-butyl 4-{4-[(2,6-dimethoxyphenyl)carbamoyl]-1-[4-(propan-2-yl)phenyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
C614-5341 Screening compound: tert-butyl 4-{4-[(2,6-dimethoxyphenyl)carbamoyl]-1-[4-(propan-2-yl)phenyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5341
tert-butyl 4-{4-[(2,6-dimethoxyphenyl)carbamoyl]-1-[4-(propan-2-yl)phenyl]-1H-pyrazol-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

C614-5341

Molecular Formula

C31H40N4O5 (C31 H40 N4 O5)

Compound Name

tert-butyl 4-{4-[(2,6-dimethoxyphenyl)carbamoyl]-1-[4-(propan-2-yl)phenyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate

IUPAC name

tert-butyl 4-{4-[(26-dimethoxyphenyl)carbamoyl]-1-[4-(propan-2-yl)phenyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate

SMILES

CC(C)c(cc1)ccc1-n1ncc(C(Nc(c(OC)ccc2)c2OC)=O)c1C(CC1)CCN1C(OC(C)(C)C)=O

InChI

InChI=1S/C31H40N4O5/c1-20(2)21-11-13-23(14-12-21)35-28(22-15-17-34(18-16-22)30(37)40-31(3,4)5)24(19-32-35)29(36)33-27-25(38-6)9-8-10-26(27)39-7/h8-14,19-20,22H,15-18H2,1-7H3,(H,33,36)

InChI Key

NQWPTLXXGSFVNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.592

Distribution Coefficient, logD

6.565

Water Solubility, LogSw

-5.66

Polar Surface Area

72.099

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.20

References: we are preparing a list of scientific research reports with C614-5341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5341?
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What is the minimum amount of C614-5341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5341
  • 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 C614-5341 available by request