V029-2388 Screening compound: ethyl 4-{2-[allyl(2-thienylcarbonyl)amino]propanoyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

V029-2388 Screening compound: ethyl 4-{2-[allyl(2-thienylcarbonyl)amino]propanoyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
V029-2388 Screening compound: ethyl 4-{2-[allyl(2-thienylcarbonyl)amino]propanoyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-2388
ethyl 4-{2-[allyl(2-thienylcarbonyl)amino]propanoyl}-1-ethyl-3,5-dimethyl-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

V029-2388

Molecular Formula

C22H28N2O4S (C22 H28 N2 O4 S)

Compound Name

ethyl 4-{2-[allyl(2-thienylcarbonyl)amino]propanoyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 1-ethyl-35-dimethyl-4-{2-[N-(prop-2-en-1-yl)-1-(thiophen-2-yl)formamido]propanoyl}-1H-pyrrole-2-carboxylate

SMILES

CCn1c(C(OCC)=O)c(C)c(C(C(C)N(CC=C)C(c2cccs2)=O)=O)c1C

InChI

InChI=1S/C22H28N2O4S/c1-7-12-24(21(26)17-11-10-13-29-17)16(6)20(25)18-14(4)19(22(27)28-9-3)23(8-2)15(18)5/h7,10-11,13,16H,1,8-9,12H2,2-6H3/t16-/m0/s1

InChI Key

MEHJOYYWFWHHGH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14255537

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

416.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.888

Distribution Coefficient, logD

3.888

Water Solubility, LogSw

-4.09

Polar Surface Area

52.026

Acid Dissociation Constant (pKa)

19.24

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with V029-2388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-2388?
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What is the minimum amount of V029-2388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-2388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-2388
  • 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 V029-2388 available by request