V031-0664 Screening compound: methyl 1-ethyl-3,5-dimethyl-4-(2-{2-methyl-N-[(pyridin-4-yl)methyl]propanamido}acetyl)-1H-pyrrole-2-carboxylate

V031-0664 Screening compound: methyl 1-ethyl-3,5-dimethyl-4-(2-{2-methyl-N-[(pyridin-4-yl)methyl]propanamido}acetyl)-1H-pyrrole-2-carboxylate
V031-0664 Screening compound: methyl 1-ethyl-3,5-dimethyl-4-(2-{2-methyl-N-[(pyridin-4-yl)methyl]propanamido}acetyl)-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0664
methyl 1-ethyl-3,5-dimethyl-4-(2-{2-methyl-N-[(pyridin-4-yl)methyl]propanamido}acetyl)-1H-pyrrole-2-carboxylate

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

V031-0664

Molecular Formula

C22H29N3O4 (C22 H29 N3 O4)

Compound Name

methyl 1-ethyl-3,5-dimethyl-4-(2-{2-methyl-N-[(pyridin-4-yl)methyl]propanamido}acetyl)-1H-pyrrole-2-carboxylate

IUPAC name

methyl 1-ethyl-35-dimethyl-4-(2-{2-methyl-N-[(pyridin-4-yl)methyl]propanamido}acetyl)-1H-pyrrole-2-carboxylate

SMILES

CCn1c(C(OC)=O)c(C)c(C(CN(Cc2ccncc2)C(C(C)C)=O)=O)c1C

InChI

InChI=1S/C22H29N3O4/c1-7-25-16(5)19(15(4)20(25)22(28)29-6)18(26)13-24(21(27)14(2)3)12-17-8-10-23-11-9-17/h8-11,14H,7,12-13H2,1-6H3

InChI Key

JLZZZUGYRDKNSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14258172

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.062

Distribution Coefficient, logD

2.043

Water Solubility, LogSw

-2.13

Polar Surface Area

61.022

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with V031-0664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0664?
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What is the minimum amount of V031-0664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0664
  • 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 V031-0664 available by request