V029-4126 Screening compound: 2-{5,6-dichloro-2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(morpholin-4-yl)propanamide

V029-4126 Screening compound: 2-{5,6-dichloro-2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(morpholin-4-yl)propanamide
V029-4126 Screening compound: 2-{5,6-dichloro-2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(morpholin-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-4126
2-{5,6-dichloro-2-[(2-chlorophenyl)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

V029-4126

Molecular Formula

C21H21Cl3N4O2 (C21 H21 Cl3 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C(NN1CCOCC1)=O)n(c(Cc(cccc1)c1Cl)nc1c2)c1cc(Cl)c2Cl

InChI

InChI=1S/C21H21Cl3N4O2/c1-13(21(29)26-27-6-8-30-9-7-27)28-19-12-17(24)16(23)11-18(19)25-20(28)10-14-4-2-3-5-15(14)22/h2-5,11-13H,6-10H2,1H3,(H,26,29)/t13-/m0/s1

InChI Key

WOJPBGDLSYOICY-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27633128

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

467.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.411

Distribution Coefficient, logD

4.411

Water Solubility, LogSw

-4.37

Polar Surface Area

48.801

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V029-4126 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V029-4126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-4126?
Check Price and Availability of V029-4126, 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 V029-4126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-4126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-4126
  • 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 V029-4126 available by request