V004-1949 Screening compound: N,N-diethyl-2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-5-propanamidobenzamide

V004-1949 Screening compound: N,N-diethyl-2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-5-propanamidobenzamide
V004-1949 Screening compound: N,N-diethyl-2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-5-propanamidobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-1949
N,N-diethyl-2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-5-propanamidobenzamide

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

V004-1949

Molecular Formula

C27H36N4O3 (C27 H36 N4 O3)

Compound Name

N,N-diethyl-2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-5-propanamidobenzamide

IUPAC name

NN-diethyl-2-[4-(4-methylbenzoyl)-14-diazepan-1-yl]-5-propanamidobenzamide

SMILES

CCC(Nc(cc1)cc(C(N(CC)CC)=O)c1N(CCC1)CCN1C(c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C27H36N4O3/c1-5-25(32)28-22-13-14-24(23(19-22)27(34)29(6-2)7-3)30-15-8-16-31(18-17-30)26(33)21-11-9-20(4)10-12-21/h9-14,19H,5-8,15-18H2,1-4H3,(H,28,32)

InChI Key

UZBIQDGTOMACOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14255788

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.391

Distribution Coefficient, logD

3.391

Water Solubility, LogSw

-3.69

Polar Surface Area

59.259

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with V004-1949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-1949?
Check Price and Availability of V004-1949, 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 V004-1949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-1949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-1949
  • 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 V004-1949 available by request