V021-0347 Screening compound: 1-[(2-fluorophenyl)methyl]-4-(3,4,5-trimethoxybenzamido)-1H-indol-5-yl N,N-diethylcarbamate

V021-0347 Screening compound: 1-[(2-fluorophenyl)methyl]-4-(3,4,5-trimethoxybenzamido)-1H-indol-5-yl N,N-diethylcarbamate
V021-0347 Screening compound: 1-[(2-fluorophenyl)methyl]-4-(3,4,5-trimethoxybenzamido)-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0347
1-[(2-fluorophenyl)methyl]-4-(3,4,5-trimethoxybenzamido)-1H-indol-5-yl N,N-diethylcarbamate

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

V021-0347

Molecular Formula

C30H32FN3O6 (C30 H32 FN3 O6)

Compound Name

1-[(2-fluorophenyl)methyl]-4-(3,4,5-trimethoxybenzamido)-1H-indol-5-yl N,N-diethylcarbamate

IUPAC name

1-[(2-fluorophenyl)methyl]-4-(345-trimethoxybenzamido)-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc(cccc1)c1F)c2NC(c(cc1OC)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C30H32FN3O6/c1-6-33(7-2)30(36)40-24-13-12-23-21(14-15-34(23)18-19-10-8-9-11-22(19)31)27(24)32-29(35)20-16-25(37-3)28(39-5)26(17-20)38-4/h8-17H,6-7,18H2,1-5H3,(H,32,35)

InChI Key

UCCWPNUZXNMGMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19948096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.849

Distribution Coefficient, logD

4.849

Water Solubility, LogSw

-4.76

Polar Surface Area

68.718

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

V021-0347 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V021-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-0347?
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What is the minimum amount of V021-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0347
  • 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 V021-0347 available by request