V021-5615 Screening compound: N-(6-{4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenylbutanamide

V021-5615 Screening compound: N-(6-{4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenylbutanamide
V021-5615 Screening compound: N-(6-{4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-5615
N-(6-{4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenylbutanamide

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

V021-5615

Molecular Formula

C27H31ClN4O (C27 H31 ClN4 O)

Compound Name

N-(6-{4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenylbutanamide

IUPAC name

N-(6-{4-[(2-chlorophenyl)methyl]-14-diazepan-1-yl}pyridin-3-yl)-2-phenylbutanamide

SMILES

CCC(C(Nc(cc1)cnc1N1CCN(Cc(cccc2)c2Cl)CCC1)=O)c1ccccc1

InChI

InChI=1S/C27H31ClN4O/c1-2-24(21-9-4-3-5-10-21)27(33)30-23-13-14-26(29-19-23)32-16-8-15-31(17-18-32)20-22-11-6-7-12-25(22)28/h3-7,9-14,19,24H,2,8,15-18,20H2,1H3,(H,30,33)/t24-/m1/s1

InChI Key

JQCARRYDFJNYKQ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19912257

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

463.02

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.975

Distribution Coefficient, logD

5.914

Water Solubility, LogSw

-6.06

Polar Surface Area

39.254

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

V021-5615 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V021-5615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-5615?
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What is the minimum amount of V021-5615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-5615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-5615
  • 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 V021-5615 available by request