V003-4902 Screening compound: 1-(2-chlorobenzyl)-4-{[3-fluoro-4-(trifluoromethyl)benzoyl]amino}-1H-indol-5-yl N,N-diethylcarbamate

V003-4902 Screening compound: 1-(2-chlorobenzyl)-4-{[3-fluoro-4-(trifluoromethyl)benzoyl]amino}-1H-indol-5-yl N,N-diethylcarbamate
V003-4902 Screening compound: 1-(2-chlorobenzyl)-4-{[3-fluoro-4-(trifluoromethyl)benzoyl]amino}-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4902
1-(2-chlorobenzyl)-4-{[3-fluoro-4-(trifluoromethyl)benzoyl]amino}-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

V003-4902

Molecular Formula

C28H24ClF4N3O3 (C28 H24 ClF4 N3 O3)

Compound Name

1-(2-chlorobenzyl)-4-{[3-fluoro-4-(trifluoromethyl)benzoyl]amino}-1H-indol-5-yl N,N-diethylcarbamate

IUPAC name

n/a

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc(cccc1)c1Cl)c2NC(c1cc(F)c(C(F)(F)F)cc1)=O)=O

InChI

InChI=1S/C28H24ClF4N3O3/c1-3-35(4-2)27(38)39-24-12-11-23-19(13-14-36(23)16-18-7-5-6-8-21(18)29)25(24)34-26(37)17-9-10-20(22(30)15-17)28(31,32)33/h5-15H,3-4,16H2,1-2H3,(H,34,37)

InChI Key

HNWRMSPFORORNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

561.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.573

Distribution Coefficient, logD

6.564

Water Solubility, LogSw

-6.15

Polar Surface Area

45.740

Acid Dissociation Constant (pKa)

9.08

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

V003-4902 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V003-4902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4902?
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What is the minimum amount of V003-4902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4902
  • 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 V003-4902 available by request