V021-9054 Screening compound: 3,5-difluoro-N-{6-[4-(4-isopropylbenzyl)-1,4-diazepan-1-yl]-3-pyridyl}benzamide

V021-9054 Screening compound: 3,5-difluoro-N-{6-[4-(4-isopropylbenzyl)-1,4-diazepan-1-yl]-3-pyridyl}benzamide
V021-9054 Screening compound: 3,5-difluoro-N-{6-[4-(4-isopropylbenzyl)-1,4-diazepan-1-yl]-3-pyridyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-9054
3,5-difluoro-N-{6-[4-(4-isopropylbenzyl)-1,4-diazepan-1-yl]-3-pyridyl}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

V021-9054

Molecular Formula

C27H30F2N4O (C27 H30 F2 N4 O)

Compound Name

3,5-difluoro-N-{6-[4-(4-isopropylbenzyl)-1,4-diazepan-1-yl]-3-pyridyl}benzamide

IUPAC name

35-difluoro-N-[6-(4-{[4-(propan-2-yl)phenyl]methyl}-14-diazepan-1-yl)pyridin-3-yl]benzamide

SMILES

CC(C)c1ccc(CN(CCC2)CCN2c(cc2)ncc2NC(c2cc(F)cc(F)c2)=O)cc1

InChI

InChI=1S/C27H30F2N4O/c1-19(2)21-6-4-20(5-7-21)18-32-10-3-11-33(13-12-32)26-9-8-25(17-30-26)31-27(34)22-14-23(28)16-24(29)15-22/h4-9,14-17,19H,3,10-13,18H2,1-2H3,(H,31,34)

InChI Key

ABRRNZYEGGOSCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19912293

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.344

Distribution Coefficient, logD

5.887

Water Solubility, LogSw

-5.35

Polar Surface Area

39.254

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

7.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

V021-9054 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V021-9054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-9054?
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What is the minimum amount of V021-9054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-9054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-9054
  • 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 V021-9054 available by request