V012-5446 Screening compound: N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2,4-dimethoxybenzamide

V012-5446 Screening compound: N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2,4-dimethoxybenzamide
V012-5446 Screening compound: N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-5446
N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2,4-dimethoxybenzamide

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

V012-5446

Molecular Formula

C26H26Cl2N4O4 (C26 H26 Cl2 N4 O4)

Compound Name

N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2,4-dimethoxybenzamide

IUPAC name

N-{6-[4-(24-dichlorobenzoyl)-14-diazepan-1-yl]pyridin-3-yl}-24-dimethoxybenzamide

SMILES

COc(cc1)cc(OC)c1C(Nc(cc1)cnc1N(CCC1)CCN1C(c(ccc(Cl)c1)c1Cl)=O)=O

InChI

InChI=1S/C26H26Cl2N4O4/c1-35-19-6-8-21(23(15-19)36-2)25(33)30-18-5-9-24(29-16-18)31-10-3-11-32(13-12-31)26(34)20-7-4-17(27)14-22(20)28/h4-9,14-16H,3,10-13H2,1-2H3,(H,30,33)

InChI Key

KSDDPTNRUFGWKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19911500

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

529.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.098

Distribution Coefficient, logD

5.095

Water Solubility, LogSw

-5.40

Polar Surface Area

67.344

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

V012-5446 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V012-5446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-5446?
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What is the minimum amount of V012-5446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-5446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-5446
  • 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 V012-5446 available by request