V029-4102 Screening compound: ethyl 1-(2-{5,6-dichloro-2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}acetyl)piperidine-3-carboxylate

V029-4102 Screening compound: ethyl 1-(2-{5,6-dichloro-2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}acetyl)piperidine-3-carboxylate
V029-4102 Screening compound: ethyl 1-(2-{5,6-dichloro-2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}acetyl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-4102
ethyl 1-(2-{5,6-dichloro-2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}acetyl)piperidine-3-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

V029-4102

Molecular Formula

C24H24Cl3N3O3 (C24 H24 Cl3 N3 O3)

Compound Name

ethyl 1-(2-{5,6-dichloro-2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}acetyl)piperidine-3-carboxylate

IUPAC name

ethyl 1-(2-{56-dichloro-2-[(2-chlorophenyl)methyl]-1H-13-benzodiazol-1-yl}acetyl)piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(Cn(c(Cc(cccc1)c1Cl)nc1c2)c1cc(Cl)c2Cl)=O)=O

InChI

InChI=1S/C24H24Cl3N3O3/c1-2-33-24(32)16-7-5-9-29(13-16)23(31)14-30-21-12-19(27)18(26)11-20(21)28-22(30)10-15-6-3-4-8-17(15)25/h3-4,6,8,11-12,16H,2,5,7,9-10,13-14H2,1H3/t16-/m0/s1

InChI Key

BHTNLVJUXOIWAZ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27633114

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

508.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.755

Distribution Coefficient, logD

5.702

Water Solubility, LogSw

-5.86

Polar Surface Area

47.951

Acid Dissociation Constant (pKa)

17.16

Base Dissociation Constant (pKb)

6.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with V029-4102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-4102?
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What is the minimum amount of V029-4102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-4102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-4102
  • 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 V029-4102 available by request