C094-0320 Screening compound: tert-butyl 2-({[(4-methoxyphenyl)carbamoyl](4-methylphenyl)methyl}carbamoyl)pyrrolidine-1-carboxylate

C094-0320 Screening compound: tert-butyl 2-({[(4-methoxyphenyl)carbamoyl](4-methylphenyl)methyl}carbamoyl)pyrrolidine-1-carboxylate
C094-0320 Screening compound: tert-butyl 2-({[(4-methoxyphenyl)carbamoyl](4-methylphenyl)methyl}carbamoyl)pyrrolidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-0320
tert-butyl 2-({[(4-methoxyphenyl)carbamoyl](4-methylphenyl)methyl}carbamoyl)pyrrolidine-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

C094-0320

Molecular Formula

C26H33N3O5 (C26 H33 N3 O5)

Compound Name

tert-butyl 2-({[(4-methoxyphenyl)carbamoyl](4-methylphenyl)methyl}carbamoyl)pyrrolidine-1-carboxylate

IUPAC name

tert-butyl 2-({[(4-methoxyphenyl)carbamoyl](4-methylphenyl)methyl}carbamoyl)pyrrolidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CCC1)C1C(NC(C(Nc(cc1)ccc1OC)=O)c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C26H33N3O5/c1-17-8-10-18(11-9-17)22(24(31)27-19-12-14-20(33-5)15-13-19)28-23(30)21-7-6-16-29(21)25(32)34-26(2,3)4/h8-15,21-22H,6-7,16H2,1-5H3,(H,27,31)(H,28,30)

InChI Key

YCXFDVTYFHSWSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.101

Distribution Coefficient, logD

4.100

Water Solubility, LogSw

-4.13

Polar Surface Area

76.781

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.30

References: we are preparing a list of scientific research reports with C094-0320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-0320?
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What is the minimum amount of C094-0320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-0320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-0320
  • 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 C094-0320 available by request