V004-9253 Screening compound: methyl 2-[({[(3,4-dichlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)(2-methylpropyl)amino]propanoate

V004-9253 Screening compound: methyl 2-[({[(3,4-dichlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)(2-methylpropyl)amino]propanoate
V004-9253 Screening compound: methyl 2-[({[(3,4-dichlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)(2-methylpropyl)amino]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9253
methyl 2-[({[(3,4-dichlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)(2-methylpropyl)amino]propanoate

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

V004-9253

Molecular Formula

C27H33Cl2N3O3 (C27 H33 Cl2 N3 O3)

Compound Name

methyl 2-[({[(3,4-dichlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)(2-methylpropyl)amino]propanoate

IUPAC name

methyl 2-[({[(34-dichlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)(2-methylpropyl)amino]propanoate

SMILES

CC(C)CN(CC(N(CCc1c[nH]c2c1cccc2)Cc(cc1)cc(Cl)c1Cl)=O)C(C)C(OC)=O

InChI

InChI=1S/C27H33Cl2N3O3/c1-18(2)15-32(19(3)27(34)35-4)17-26(33)31(16-20-9-10-23(28)24(29)13-20)12-11-21-14-30-25-8-6-5-7-22(21)25/h5-10,13-14,18-19,30H,11-12,15-17H2,1-4H3/t19-/m0/s1

InChI Key

HEWDEMUELIPVGH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19776659

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

518.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.372

Distribution Coefficient, logD

5.372

Water Solubility, LogSw

-6.04

Polar Surface Area

50.184

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

V004-9253 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 V004-9253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9253?
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What is the minimum amount of V004-9253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9253
  • 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 V004-9253 available by request