E737-0776 Screening compound: 3-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-8-methoxy-5-methyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

E737-0776 Screening compound: 3-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-8-methoxy-5-methyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione
E737-0776 Screening compound: 3-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-8-methoxy-5-methyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-0776
3-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-8-methoxy-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

E737-0776

Molecular Formula

C25H18ClF2N3O3 (C25 H18 ClF2 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cn(c(cc1)c2cc1OC)c(C(N1c(cc3)cc(Cl)c3F)=O)c2N(Cc(cc2)ccc2F)C1=O

InChI

InChI=1S/C25H18ClF2N3O3/c1-29-21-10-8-17(34-2)12-18(21)22-23(29)24(32)31(16-7-9-20(28)19(26)11-16)25(33)30(22)13-14-3-5-15(27)6-4-14/h3-12H,13H2,1-2H3

InChI Key

WQEXHMBIDLFHRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.987

Distribution Coefficient, logD

4.987

Water Solubility, LogSw

-5.10

Polar Surface Area

41.279

Acid Dissociation Constant (pKa)

27.41

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

E737-0776 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

BRD4 Targeted Library (4534 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with E737-0776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-0776?
Check Price and Availability of E737-0776, 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 E737-0776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-0776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-0776
  • 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 E737-0776 available by request