V025-6139 Screening compound: 4-chloro-N-{4-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}benzamide

V025-6139 Screening compound: 4-chloro-N-{4-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}benzamide
V025-6139 Screening compound: 4-chloro-N-{4-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-6139
4-chloro-N-{4-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}benzamide

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

V025-6139

Molecular Formula

C34H39ClN4O3 (C34 H39 ClN4 O3)

Compound Name

4-chloro-N-{4-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}benzamide

IUPAC name

4-chloro-N-{4-[4-(2-phenylbutanoyl)-14-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}benzamide

SMILES

CCC(C(N(CCC1)CCN1c(ccc(NC(c(cc1)ccc1Cl)=O)c1)c1C(N1CCCCC1)=O)=O)c1ccccc1

InChI

InChI=1S/C34H39ClN4O3/c1-2-29(25-10-5-3-6-11-25)33(41)39-21-9-20-37(22-23-39)31-17-16-28(36-32(40)26-12-14-27(35)15-13-26)24-30(31)34(42)38-18-7-4-8-19-38/h3,5-6,10-17,24,29H,2,4,7-9,18-23H2,1H3,(H,36,40)/t29-/m1/s1

InChI Key

CXNMYPFTMSQMBE-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD14259088

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

587.16

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.212

Distribution Coefficient, logD

6.211

Water Solubility, LogSw

-5.99

Polar Surface Area

59.917

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.20

References: we are preparing a list of scientific research reports with V025-6139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-6139?
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What is the minimum amount of V025-6139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-6139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-6139
  • 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 V025-6139 available by request