V030-0513 Screening compound: N~1~-(tert-butyl)-4-(2,3-dimethoxyphenyl)-N~3~-isobutyl-1,3-pyrrolidinedicarboxamide

V030-0513 Screening compound: N~1~-(tert-butyl)-4-(2,3-dimethoxyphenyl)-N~3~-isobutyl-1,3-pyrrolidinedicarboxamide
V030-0513 Screening compound: N~1~-(tert-butyl)-4-(2,3-dimethoxyphenyl)-N~3~-isobutyl-1,3-pyrrolidinedicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-0513
N~1~-(tert-butyl)-4-(2,3-dimethoxyphenyl)-N~3~-isobutyl-1,3-pyrrolidinedicarboxamide

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

V030-0513

Molecular Formula

C22H35N3O4 (C22 H35 N3 O4)

Compound Name

N~1~-(tert-butyl)-4-(2,3-dimethoxyphenyl)-N~3~-isobutyl-1,3-pyrrolidinedicarboxamide

IUPAC name

N1-tert-butyl-4-(23-dimethoxyphenyl)-N3-(2-methylpropyl)pyrrolidine-13-dicarboxamide

SMILES

CC(C)CNC(C(CN(C1)C(NC(C)(C)C)=O)C1c(cccc1OC)c1OC)=O

InChI

InChI=1S/C22H35N3O4/c1-14(2)11-23-20(26)17-13-25(21(27)24-22(3,4)5)12-16(17)15-9-8-10-18(28-6)19(15)29-7/h8-10,14,16-17H,11-13H2,1-7H3,(H,23,26)(H,24,27)

InChI Key

NJQGHLKGJYWPHG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.287

Distribution Coefficient, logD

3.287

Water Solubility, LogSw

-3.55

Polar Surface Area

66.119

Acid Dissociation Constant (pKa)

14.80

Base Dissociation Constant (pKb)

5.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.64

V030-0513 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V030-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-0513?
Check Price and Availability of V030-0513, 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 V030-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-0513
  • 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 V030-0513 available by request