V025-4664 Screening compound: N-{4-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-{[(4-fluorophenyl)methyl]carbamoyl}phenyl}thiophene-2-carboxamide

V025-4664 Screening compound: N-{4-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-{[(4-fluorophenyl)methyl]carbamoyl}phenyl}thiophene-2-carboxamide
V025-4664 Screening compound: N-{4-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-{[(4-fluorophenyl)methyl]carbamoyl}phenyl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-4664
N-{4-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-{[(4-fluorophenyl)methyl]carbamoyl}phenyl}thiophene-2-carboxamide

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

V025-4664

Molecular Formula

C31H28F2N4O3S (C31 H28 F2 N4 O3 S)

Compound Name

N-{4-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-{[(4-fluorophenyl)methyl]carbamoyl}phenyl}thiophene-2-carboxamide

IUPAC name

N-{4-[4-(2-fluorobenzoyl)-14-diazepan-1-yl]-3-{[(4-fluorophenyl)methyl]carbamoyl}phenyl}thiophene-2-carboxamide

SMILES

O=C(c1cccs1)Nc(cc1)cc(C(NCc(cc2)ccc2F)=O)c1N(CCC1)CCN1C(c(cccc1)c1F)=O

InChI

InChI=1S/C31H28F2N4O3S/c32-22-10-8-21(9-11-22)20-34-29(38)25-19-23(35-30(39)28-7-3-18-41-28)12-13-27(25)36-14-4-15-37(17-16-36)31(40)24-5-1-2-6-26(24)33/h1-3,5-13,18-19H,4,14-17,20H2,(H,34,38)(H,35,39)

InChI Key

WOPZKYKQVDRWEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14258735

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

574.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.196

Distribution Coefficient, logD

5.196

Water Solubility, LogSw

-5.30

Polar Surface Area

68.700

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.40

References: we are preparing a list of scientific research reports with V025-4664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-4664?
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What is the minimum amount of V025-4664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-4664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-4664
  • 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 V025-4664 available by request