V026-7101 Screening compound: ethyl 1,3,5-trimethyl-4-(2-{2-methyl-N-[(pyridin-3-yl)methyl]propanamido}acetyl)-1H-pyrrole-2-carboxylate

V026-7101 Screening compound: ethyl 1,3,5-trimethyl-4-(2-{2-methyl-N-[(pyridin-3-yl)methyl]propanamido}acetyl)-1H-pyrrole-2-carboxylate
V026-7101 Screening compound: ethyl 1,3,5-trimethyl-4-(2-{2-methyl-N-[(pyridin-3-yl)methyl]propanamido}acetyl)-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-7101
ethyl 1,3,5-trimethyl-4-(2-{2-methyl-N-[(pyridin-3-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

V026-7101

Molecular Formula

C22H29N3O4 (C22 H29 N3 O4)

Compound Name

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

IUPAC name

ethyl 135-trimethyl-4-(2-{2-methyl-N-[(pyridin-3-yl)methyl]propanamido}acetyl)-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(C(CN(Cc2cnccc2)C(C(C)C)=O)=O)c(C)n1C)=O

InChI

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

InChI Key

KOIYISCOSSBAFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14253190

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

1.837

Distribution Coefficient, logD

1.837

Water Solubility, LogSw

-1.47

Polar Surface Area

61.776

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with V026-7101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-7101?
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What is the minimum amount of V026-7101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-7101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-7101
  • 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 V026-7101 available by request