V028-1198 Screening compound: 4-[4-(furan-2-amido)-2-(pyrrolidine-1-carbonyl)phenyl]-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide

V028-1198 Screening compound: 4-[4-(furan-2-amido)-2-(pyrrolidine-1-carbonyl)phenyl]-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
V028-1198 Screening compound: 4-[4-(furan-2-amido)-2-(pyrrolidine-1-carbonyl)phenyl]-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-1198
4-[4-(furan-2-amido)-2-(pyrrolidine-1-carbonyl)phenyl]-N-(4-methoxyphenyl)-1,4-diazepane-1-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

V028-1198

Molecular Formula

C29H33N5O5 (C29 H33 N5 O5)

Compound Name

4-[4-(furan-2-amido)-2-(pyrrolidine-1-carbonyl)phenyl]-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide

IUPAC name

4-[4-(furan-2-amido)-2-(pyrrolidine-1-carbonyl)phenyl]-N-(4-methoxyphenyl)-14-diazepane-1-carboxamide

SMILES

COc(cc1)ccc1NC(N(CCC1)CCN1c(ccc(NC(c1ccco1)=O)c1)c1C(N1CCCC1)=O)=O

InChI

InChI=1S/C29H33N5O5/c1-38-23-10-7-21(8-11-23)31-29(37)34-16-5-15-32(17-18-34)25-12-9-22(30-27(35)26-6-4-19-39-26)20-24(25)28(36)33-13-2-3-14-33/h4,6-12,19-20H,2-3,5,13-18H2,1H3,(H,30,35)(H,31,37)

InChI Key

WKYQARICTHKPAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19811974

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

531.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.767

Distribution Coefficient, logD

3.763

Water Solubility, LogSw

-4.02

Polar Surface Area

85.226

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

V028-1198 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V028-1198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-1198?
Check Price and Availability of V028-1198, 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 V028-1198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-1198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-1198
  • 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 V028-1198 available by request