E737-1034 Screening compound: 1-[(3-fluorophenyl)methyl]-8-methoxy-3-(4-methoxyphenyl)-5-methyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

E737-1034 Screening compound: 1-[(3-fluorophenyl)methyl]-8-methoxy-3-(4-methoxyphenyl)-5-methyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione
E737-1034 Screening compound: 1-[(3-fluorophenyl)methyl]-8-methoxy-3-(4-methoxyphenyl)-5-methyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-1034
1-[(3-fluorophenyl)methyl]-8-methoxy-3-(4-methoxyphenyl)-5-methyl-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

E737-1034

Molecular Formula

C26H22FN3O4 (C26 H22 FN3 O4)

Compound Name

1-[(3-fluorophenyl)methyl]-8-methoxy-3-(4-methoxyphenyl)-5-methyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

IUPAC name

1-[(3-fluorophenyl)methyl]-8-methoxy-3-(4-methoxyphenyl)-5-methyl-1H2H3H4H5H-pyrimido[54-b]indole-24-dione

SMILES

Cn(c(cc1)c2cc1OC)c(C(N1c(cc3)ccc3OC)=O)c2N(Cc2cccc(F)c2)C1=O

InChI

InChI=1S/C26H22FN3O4/c1-28-22-12-11-20(34-3)14-21(22)23-24(28)25(31)30(18-7-9-19(33-2)10-8-18)26(32)29(23)15-16-5-4-6-17(27)13-16/h4-14H,15H2,1-3H3

InChI Key

XESPQEFNTDNDDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.467

Distribution Coefficient, logD

4.467

Water Solubility, LogSw

-4.55

Polar Surface Area

48.823

Acid Dissociation Constant (pKa)

27.48

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with E737-1034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-1034?
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What is the minimum amount of E737-1034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-1034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-1034
  • 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 E737-1034 available by request