E737-0166 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-5,8-dimethyl-3-(3-methylphenyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

E737-0166 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-5,8-dimethyl-3-(3-methylphenyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione
E737-0166 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-5,8-dimethyl-3-(3-methylphenyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-0166
1-[(2-chloro-6-fluorophenyl)methyl]-5,8-dimethyl-3-(3-methylphenyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

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

E737-0166

Molecular Formula

C26H21ClFN3O2 (C26 H21 ClFN3 O2)

Compound Name

1-[(2-chloro-6-fluorophenyl)methyl]-5,8-dimethyl-3-(3-methylphenyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

IUPAC name

1-[(2-chloro-6-fluorophenyl)methyl]-58-dimethyl-3-(3-methylphenyl)-1H2H3H4H5H-pyrimido[54-b]indole-24-dione

SMILES

Cc(cc1)cc2c1n(C)c(C(N1c3cc(C)ccc3)=O)c2N(Cc(c(F)ccc2)c2Cl)C1=O

InChI

InChI=1S/C26H21ClFN3O2/c1-15-6-4-7-17(12-15)31-25(32)24-23(18-13-16(2)10-11-22(18)29(24)3)30(26(31)33)14-19-20(27)8-5-9-21(19)28/h4-13H,14H2,1-3H3

InChI Key

WXNNWPBLXQMKOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.766

Distribution Coefficient, logD

5.766

Water Solubility, LogSw

-5.91

Polar Surface Area

33.736

Acid Dissociation Constant (pKa)

27.62

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with E737-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-0166?
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What is the minimum amount of E737-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-0166
  • 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 E737-0166 available by request