V006-1428 Screening compound: ethyl 2-(3-{[(cyclopropylmethyl)(propyl)carbamoyl]carbonyl}-5-(2,3-difluorobenzamido)-1H-indol-1-yl)acetate

V006-1428 Screening compound: ethyl 2-(3-{[(cyclopropylmethyl)(propyl)carbamoyl]carbonyl}-5-(2,3-difluorobenzamido)-1H-indol-1-yl)acetate
V006-1428 Screening compound: ethyl 2-(3-{[(cyclopropylmethyl)(propyl)carbamoyl]carbonyl}-5-(2,3-difluorobenzamido)-1H-indol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-1428
ethyl 2-(3-{[(cyclopropylmethyl)(propyl)carbamoyl]carbonyl}-5-(2,3-difluorobenzamido)-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

V006-1428

Molecular Formula

C28H29F2N3O5 (C28 H29 F2 N3 O5)

Compound Name

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

IUPAC name

ethyl 2-(3-{[(cyclopropylmethyl)(propyl)carbamoyl]carbonyl}-5-(23-difluorobenzamido)-1H-indol-1-yl)acetate

SMILES

CCCN(CC1CC1)C(C(c1cn(CC(OCC)=O)c(cc2)c1cc2NC(c1cccc(F)c1F)=O)=O)=O

InChI

InChI=1S/C28H29F2N3O5/c1-3-12-32(14-17-8-9-17)28(37)26(35)21-15-33(16-24(34)38-4-2)23-11-10-18(13-20(21)23)31-27(36)19-6-5-7-22(29)25(19)30/h5-7,10-11,13,15,17H,3-4,8-9,12,14,16H2,1-2H3,(H,31,36)

InChI Key

GXTFKVZXGPVCAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19946657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.55

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

4.712

Distribution Coefficient, logD

4.706

Water Solubility, LogSw

-4.35

Polar Surface Area

75.943

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

V006-1428 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Anti-HIV1 Library (19540 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V006-1428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-1428?
Check Price and Availability of V006-1428, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V006-1428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-1428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-1428
  • 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 V006-1428 available by request