V006-1440 Screening compound: ethyl 2-(3-{[(cyclopropylmethyl)(propyl)carbamoyl]carbonyl}-5-(2,3,4,5,6-pentafluorobenzamido)-1H-indol-1-yl)acetate

V006-1440 Screening compound: ethyl 2-(3-{[(cyclopropylmethyl)(propyl)carbamoyl]carbonyl}-5-(2,3,4,5,6-pentafluorobenzamido)-1H-indol-1-yl)acetate
V006-1440 Screening compound: ethyl 2-(3-{[(cyclopropylmethyl)(propyl)carbamoyl]carbonyl}-5-(2,3,4,5,6-pentafluorobenzamido)-1H-indol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-1440
ethyl 2-(3-{[(cyclopropylmethyl)(propyl)carbamoyl]carbonyl}-5-(2,3,4,5,6-pentafluorobenzamido)-1H-indol-1-yl)acetate

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

V006-1440

Molecular Formula

C28H26F5N3O5 (C28 H26 F5 N3 O5)

Compound Name

ethyl 2-(3-{[(cyclopropylmethyl)(propyl)carbamoyl]carbonyl}-5-(2,3,4,5,6-pentafluorobenzamido)-1H-indol-1-yl)acetate

IUPAC name

ethyl 2-(3-{[(cyclopropylmethyl)(propyl)carbamoyl]carbonyl}-5-(23456-pentafluorobenzamido)-1H-indol-1-yl)acetate

SMILES

CCCN(CC1CC1)C(C(c1cn(CC(OCC)=O)c(cc2)c1cc2NC(c(c(F)c(c(F)c1F)F)c1F)=O)=O)=O

InChI

InChI=1S/C28H26F5N3O5/c1-3-9-35(11-14-5-6-14)28(40)26(38)17-12-36(13-19(37)41-4-2)18-8-7-15(10-16(17)18)34-27(39)20-21(29)23(31)25(33)24(32)22(20)30/h7-8,10,12,14H,3-6,9,11,13H2,1-2H3,(H,34,39)

InChI Key

BZOPMTUBTHZPBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19946649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.463

Distribution Coefficient, logD

4.497

Water Solubility, LogSw

-5.54

Polar Surface Area

75.943

Acid Dissociation Constant (pKa)

6.48

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

V006-1440 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V006-1440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-1440?
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What is the minimum amount of V006-1440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-1440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-1440
  • 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 V006-1440 available by request