V012-4121 Screening compound: ethyl 3-(2,6-dimethoxybenzamido)-4-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)benzoate

V012-4121 Screening compound: ethyl 3-(2,6-dimethoxybenzamido)-4-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)benzoate
V012-4121 Screening compound: ethyl 3-(2,6-dimethoxybenzamido)-4-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-4121
ethyl 3-(2,6-dimethoxybenzamido)-4-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)benzoate

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

V012-4121

Molecular Formula

C27H27N3O5 (C27 H27 N3 O5)

Compound Name

ethyl 3-(2,6-dimethoxybenzamido)-4-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)benzoate

IUPAC name

ethyl 3-(26-dimethoxybenzamido)-4-(56-dimethyl-1H-13-benzodiazol-1-yl)benzoate

SMILES

CCOC(c(cc1)cc(NC(c(c(OC)ccc2)c2OC)=O)c1-n1c(cc(C)c(C)c2)c2nc1)=O

InChI

InChI=1S/C27H27N3O5/c1-6-35-27(32)18-10-11-21(30-15-28-19-12-16(2)17(3)13-22(19)30)20(14-18)29-26(31)25-23(33-4)8-7-9-24(25)34-5/h7-15H,6H2,1-5H3,(H,29,31)

InChI Key

MPQBWXAXVPLQHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964426

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

473.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.296

Distribution Coefficient, logD

3.177

Water Solubility, LogSw

-5.43

Polar Surface Area

68.989

Acid Dissociation Constant (pKa)

5.62

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V012-4121 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V012-4121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-4121?
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What is the minimum amount of V012-4121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-4121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-4121
  • 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 V012-4121 available by request