G612-0982 Screening compound: tert-butyl 4-[1-(4-chlorophenyl)-4-[(2-methoxy-5-nitrophenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

G612-0982 Screening compound: tert-butyl 4-[1-(4-chlorophenyl)-4-[(2-methoxy-5-nitrophenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate
G612-0982 Screening compound: tert-butyl 4-[1-(4-chlorophenyl)-4-[(2-methoxy-5-nitrophenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G612-0982
tert-butyl 4-[1-(4-chlorophenyl)-4-[(2-methoxy-5-nitrophenyl)carbamoyl]-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

G612-0982

Molecular Formula

C27H30ClN5O6 (C27 H30 ClN5 O6)

Compound Name

tert-butyl 4-[1-(4-chlorophenyl)-4-[(2-methoxy-5-nitrophenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[1-(4-chlorophenyl)-4-[(2-methoxy-5-nitrophenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c(cc1)ccc1Cl)nc1)c1C(Nc(cc(cc1)[N+]([O-])=O)c1OC)=O)=O

InChI

InChI=1S/C27H30ClN5O6/c1-27(2,3)39-26(35)31-13-11-17(12-14-31)24-21(16-29-32(24)19-7-5-18(28)6-8-19)25(34)30-22-15-20(33(36)37)9-10-23(22)38-4/h5-10,15-17H,11-14H2,1-4H3,(H,30,34)

InChI Key

DEPJQGHMZANGJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.02

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.334

Distribution Coefficient, logD

6.035

Water Solubility, LogSw

-6.19

Polar Surface Area

98.548

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with G612-0982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G612-0982?
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What is the minimum amount of G612-0982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G612-0982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G612-0982
  • 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 G612-0982 available by request