V013-3749 Screening compound: 2,4-dimethoxy-N-{6-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]-3-pyridyl}benzamide

V013-3749 Screening compound: 2,4-dimethoxy-N-{6-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]-3-pyridyl}benzamide
V013-3749 Screening compound: 2,4-dimethoxy-N-{6-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]-3-pyridyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-3749
2,4-dimethoxy-N-{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

V013-3749

Molecular Formula

C27H30N4O4 (C27 H30 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1C(N(CCC1)CCN1c(cc1)ncc1NC(c(ccc(OC)c1)c1OC)=O)=O

InChI

InChI=1S/C27H30N4O4/c1-19-7-4-5-8-22(19)27(33)31-14-6-13-30(15-16-31)25-12-9-20(18-28-25)29-26(32)23-11-10-21(34-2)17-24(23)35-3/h4-5,7-12,17-18H,6,13-16H2,1-3H3,(H,29,32)

InChI Key

FTIMYPYDCGKBFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19911501

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.354

Distribution Coefficient, logD

4.352

Water Solubility, LogSw

-4.21

Polar Surface Area

67.344

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.63

V013-3749 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V013-3749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-3749?
Check Price and Availability of V013-3749, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V013-3749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-3749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-3749
  • 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 V013-3749 available by request