V012-4137 Screening compound: 3,5-difluoro-N~1~-{6-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]-3-pyridyl}benzamide

V012-4137 Screening compound: 3,5-difluoro-N~1~-{6-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]-3-pyridyl}benzamide
V012-4137 Screening compound: 3,5-difluoro-N~1~-{6-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]-3-pyridyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-4137
3,5-difluoro-N~1~-{6-[4-(2-methylbenzoyl)-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

V012-4137

Molecular Formula

C25H24F2N4O2 (C25 H24 F2 N4 O2)

Compound Name

3,5-difluoro-N~1~-{6-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]-3-pyridyl}benzamide

IUPAC name

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

SMILES

Cc(cccc1)c1C(N(CCC1)CCN1c(cc1)ncc1NC(c1cc(F)cc(F)c1)=O)=O

InChI

InChI=1S/C25H24F2N4O2/c1-17-5-2-3-6-22(17)25(33)31-10-4-9-30(11-12-31)23-8-7-21(16-28-23)29-24(32)18-13-19(26)15-20(27)14-18/h2-3,5-8,13-16H,4,9-12H2,1H3,(H,29,32)

InChI Key

PFQZXCUJNJAQNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19911601

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

450.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.866

Distribution Coefficient, logD

4.849

Water Solubility, LogSw

-4.41

Polar Surface Area

52.170

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

V012-4137 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 V012-4137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-4137?
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What is the minimum amount of V012-4137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-4137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-4137
  • 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 V012-4137 available by request