V014-0129 Screening compound: 3-{5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(morpholin-4-yl)propanamide

V014-0129 Screening compound: 3-{5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(morpholin-4-yl)propanamide
V014-0129 Screening compound: 3-{5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(morpholin-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-0129
3-{5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(morpholin-4-yl)propanamide

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

V014-0129

Molecular Formula

C21H20Cl4N4O2 (C21 H20 Cl4 N4 O2)

Compound Name

3-{5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(morpholin-4-yl)propanamide

IUPAC name

3-{56-dichloro-2-[(26-dichlorophenyl)methyl]-1H-13-benzodiazol-1-yl}-N-(morpholin-4-yl)propanamide

SMILES

O=C(CCn(c(Cc(c(Cl)ccc1)c1Cl)nc1c2)c1cc(Cl)c2Cl)NN1CCOCC1

InChI

InChI=1S/C21H20Cl4N4O2/c22-14-2-1-3-15(23)13(14)10-20-26-18-11-16(24)17(25)12-19(18)29(20)5-4-21(30)27-28-6-8-31-9-7-28/h1-3,11-12H,4-10H2,(H,27,30)

InChI Key

XTXBZEDIWBGTHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27627558

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

502.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.791

Distribution Coefficient, logD

4.790

Water Solubility, LogSw

-4.88

Polar Surface Area

47.870

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V014-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-0129?
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What is the minimum amount of V014-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-0129
  • 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 V014-0129 available by request