G612-0643 Screening compound: tert-butyl 4-{4-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1-(3-chloro-2-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate

G612-0643 Screening compound: tert-butyl 4-{4-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1-(3-chloro-2-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
G612-0643 Screening compound: tert-butyl 4-{4-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1-(3-chloro-2-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G612-0643
tert-butyl 4-{4-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1-(3-chloro-2-methylphenyl)-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

G612-0643

Molecular Formula

C28H31ClN4O5 (C28 H31 ClN4 O5)

Compound Name

tert-butyl 4-{4-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1-(3-chloro-2-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate

IUPAC name

tert-butyl 4-{4-[(2H-13-benzodioxol-5-yl)carbamoyl]-1-(3-chloro-2-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c1cccc(Cl)c1C)nc1)c1C(Nc(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C28H31ClN4O5/c1-17-21(29)6-5-7-22(17)33-25(18-10-12-32(13-11-18)27(35)38-28(2,3)4)20(15-30-33)26(34)31-19-8-9-23-24(14-19)37-16-36-23/h5-9,14-15,18H,10-13,16H2,1-4H3,(H,31,34)

InChI Key

UGSFUCCTLKGGPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.03

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.815

Distribution Coefficient, logD

6.814

Water Solubility, LogSw

-6.30

Polar Surface Area

75.049

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with G612-0643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G612-0643?
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What is the minimum amount of G612-0643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G612-0643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G612-0643
  • 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 G612-0643 available by request