E864-0098 Screening compound: methyl 2-{[1-(4-methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]amino}benzoate

E864-0098 Screening compound: methyl 2-{[1-(4-methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]amino}benzoate
E864-0098 Screening compound: methyl 2-{[1-(4-methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E864-0098
methyl 2-{[1-(4-methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]amino}benzoate

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

E864-0098

Molecular Formula

C27H25N3O3 (C27 H25 N3 O3)

Compound Name

methyl 2-{[1-(4-methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]amino}benzoate

IUPAC name

methyl 2-{[1-(4-methylphenyl)-1H2H3H4H9H-pyrido[34-b]indole-2-carbonyl]amino}benzoate

SMILES

Cc1ccc(C(c2c(CC3)c(cccc4)c4[nH]2)N3C(Nc(cccc2)c2C(OC)=O)=O)cc1

InChI

InChI=1S/C27H25N3O3/c1-17-11-13-18(14-12-17)25-24-20(19-7-3-5-9-22(19)28-24)15-16-30(25)27(32)29-23-10-6-4-8-21(23)26(31)33-2/h3-14,25,28H,15-16H2,1-2H3,(H,29,32)/t25-/m1/s1

InChI Key

BSGXFOKYPNLSME-RUZDIDTESA-N

MDL Number (MFCD)

MFCD27603075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.784

Distribution Coefficient, logD

5.784

Water Solubility, LogSw

-5.82

Polar Surface Area

55.368

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with E864-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E864-0098?
Check Price and Availability of E864-0098, 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 E864-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E864-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E864-0098
  • 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 E864-0098 available by request