V013-6703 Screening compound: (Z)-{1-[1-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]ethylidene}(prop-2-en-1-yloxy)amine

V013-6703 Screening compound: (Z)-{1-[1-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]ethylidene}(prop-2-en-1-yloxy)amine
V013-6703 Screening compound: (Z)-{1-[1-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]ethylidene}(prop-2-en-1-yloxy)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-6703
(Z)-{1-[1-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]ethylidene}(prop-2-en-1-yloxy)amine

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

V013-6703

Molecular Formula

C24H25FN2O3 (C24 H25 FN2 O3)

Compound Name

(Z)-{1-[1-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]ethylidene}(prop-2-en-1-yloxy)amine

IUPAC name

(Z)-{1-[1-(34-dimethoxyphenyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]ethylidene}(prop-2-en-1-yloxy)amine

SMILES

C/C(/c(cc1-c(cc2)ccc2F)c(C)n1-c(cc1)cc(OC)c1OC)=N/OCC=C

InChI

InChI=1S/C24H25FN2O3/c1-6-13-30-26-16(2)21-15-22(18-7-9-19(25)10-8-18)27(17(21)3)20-11-12-23(28-4)24(14-20)29-5/h6-12,14-15H,1,13H2,2-5H3

InChI Key

YZUFKFBVMCCDCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19776275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.507

Distribution Coefficient, logD

5.507

Water Solubility, LogSw

-5.63

Polar Surface Area

36.040

Acid Dissociation Constant (pKa)

25.51

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

V013-6703 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V013-6703 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-6703?
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What is the minimum amount of V013-6703 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-6703
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-6703
  • 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 V013-6703 available by request