V024-9617 Screening compound: N-(3-{[(4-fluorophenyl)methyl]carbamoyl}-4-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]phenyl)thiophene-2-carboxamide

V024-9617 Screening compound: N-(3-{[(4-fluorophenyl)methyl]carbamoyl}-4-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]phenyl)thiophene-2-carboxamide
V024-9617 Screening compound: N-(3-{[(4-fluorophenyl)methyl]carbamoyl}-4-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]phenyl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-9617
N-(3-{[(4-fluorophenyl)methyl]carbamoyl}-4-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]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

V024-9617

Molecular Formula

C34H35FN4O3S (C34 H35 FN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(N(CCC1)CCN1c(ccc(NC(c1cccs1)=O)c1)c1C(NCc(cc1)ccc1F)=O)=O)c1ccccc1

InChI

InChI=1S/C34H35FN4O3S/c1-2-28(25-8-4-3-5-9-25)34(42)39-18-7-17-38(19-20-39)30-16-15-27(37-33(41)31-10-6-21-43-31)22-29(30)32(40)36-23-24-11-13-26(35)14-12-24/h3-6,8-16,21-22,28H,2,7,17-20,23H2,1H3,(H,36,40)(H,37,41)/t28-/m1/s1

InChI Key

AFOLJIIXWHMAFE-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD14258778

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

598.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.238

Distribution Coefficient, logD

6.238

Water Solubility, LogSw

-5.49

Polar Surface Area

68.700

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.50

V024-9617 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V024-9617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-9617?
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What is the minimum amount of V024-9617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-9617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-9617
  • 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 V024-9617 available by request