V003-2005 Screening compound: tert-butyl N-[(3-chlorophenyl)methyl]-N-{4-[4-({3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)piperazine-1-carbonyl]cyclohexyl}carbamate

V003-2005 Screening compound: tert-butyl N-[(3-chlorophenyl)methyl]-N-{4-[4-({3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)piperazine-1-carbonyl]cyclohexyl}carbamate
V003-2005 Screening compound: tert-butyl N-[(3-chlorophenyl)methyl]-N-{4-[4-({3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)piperazine-1-carbonyl]cyclohexyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-2005
tert-butyl N-[(3-chlorophenyl)methyl]-N-{4-[4-({3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)piperazine-1-carbonyl]cyclohexyl}carbamate

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

V003-2005

Molecular Formula

C34H44ClN5O5 (C34 H44 ClN5 O5)

Compound Name

tert-butyl N-[(3-chlorophenyl)methyl]-N-{4-[4-({3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)piperazine-1-carbonyl]cyclohexyl}carbamate

IUPAC name

tert-butyl N-[(3-chlorophenyl)methyl]-N-{4-[4-({3-[5-(methoxymethyl)-124-oxadiazol-3-yl]phenyl}methyl)piperazine-1-carbonyl]cyclohexyl}carbamate

SMILES

CC(C)(C)OC(N(Cc1cccc(Cl)c1)C(CC1)CCC1C(N1CCN(Cc2cc(-c3noc(COC)n3)ccc2)CC1)=O)=O

InChI

InChI=1S/C34H44ClN5O5/c1-34(2,3)44-33(42)40(22-25-8-6-10-28(35)20-25)29-13-11-26(12-14-29)32(41)39-17-15-38(16-18-39)21-24-7-5-9-27(19-24)31-36-30(23-43-4)45-37-31/h5-10,19-20,26,29H,11-18,21-23H2,1-4H3

InChI Key

BSXAOCNOAVRXSQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

638.21

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.164

Distribution Coefficient, logD

6.163

Water Solubility, LogSw

-6.22

Polar Surface Area

80.812

Acid Dissociation Constant (pKa)

23.34

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

References: we are preparing a list of scientific research reports with V003-2005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-2005?
Check Price and Availability of V003-2005, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V003-2005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-2005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-2005
  • 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 V003-2005 available by request