V022-3539 Screening compound: ISOPROPYL 4-[4-(TERT-BUTYL)PHENYL]-1-{[5-(METHOXYCARBONYL)-2-FURYL]METHYL}-2-METHYL-6-OXO-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBOXYLATE

V022-3539 Screening compound: ISOPROPYL 4-[4-(TERT-BUTYL)PHENYL]-1-{[5-(METHOXYCARBONYL)-2-FURYL]METHYL}-2-METHYL-6-OXO-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBOXYLATE
V022-3539 Screening compound: ISOPROPYL 4-[4-(TERT-BUTYL)PHENYL]-1-{[5-(METHOXYCARBONYL)-2-FURYL]METHYL}-2-METHYL-6-OXO-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-3539
ISOPROPYL 4-[4-(TERT-BUTYL)PHENYL]-1-{[5-(METHOXYCARBONYL)-2-FURYL]METHYL}-2-METHYL-6-OXO-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBOXYLATE

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

V022-3539

Molecular Formula

C27H33NO6 (C27 H33 NO6)

Compound Name

ISOPROPYL 4-[4-(TERT-BUTYL)PHENYL]-1-{[5-(METHOXYCARBONYL)-2-FURYL]METHYL}-2-METHYL-6-OXO-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBOXYLATE

IUPAC name

n/a

SMILES

CC(C)OC(C(C(C1)c2ccc(C(C)(C)C)cc2)=C(C)N(Cc2ccc(C(OC)=O)o2)C1=O)=O

InChI

InChI=1S/C27H33NO6/c1-16(2)33-26(31)24-17(3)28(15-20-12-13-22(34-20)25(30)32-7)23(29)14-21(24)18-8-10-19(11-9-18)27(4,5)6/h8-13,16,21H,14-15H2,1-7H3/t21-/m1/s1

InChI Key

WIQSNCQKYJRFOZ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19907059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.409

Distribution Coefficient, logD

5.409

Water Solubility, LogSw

-5.41

Polar Surface Area

65.296

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with V022-3539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-3539?
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What is the minimum amount of V022-3539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-3539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-3539
  • 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 V022-3539 available by request