V007-3579 Screening compound: 2-{2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one

V007-3579 Screening compound: 2-{2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one
V007-3579 Screening compound: 2-{2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-3579
2-{2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one

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

V007-3579

Molecular Formula

C23H25Cl2N3O (C23 H25 Cl2 N3 O)

Compound Name

2-{2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one

IUPAC name

2-{2-[(24-dichlorophenyl)methyl]-56-dimethyl-1H-13-benzodiazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one

SMILES

CC(C(N1CCCC1)=O)n1c(cc(C)c(C)c2)c2nc1Cc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C23H25Cl2N3O/c1-14-10-20-21(11-15(14)2)28(16(3)23(29)27-8-4-5-9-27)22(26-20)12-17-6-7-18(24)13-19(17)25/h6-7,10-11,13,16H,4-5,8-9,12H2,1-3H3/t16-/m0/s1

InChI Key

GNYUSQPAVJIMSW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19784922

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

430.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.259

Distribution Coefficient, logD

6.248

Water Solubility, LogSw

-6.05

Polar Surface Area

28.853

Acid Dissociation Constant (pKa)

16.07

Base Dissociation Constant (pKb)

5.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

V007-3579 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V007-3579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-3579?
Check Price and Availability of V007-3579, 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 V007-3579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-3579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-3579
  • 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 V007-3579 available by request