C370-1621 Screening compound: (5Z)-5-{[1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione

C370-1621 Screening compound: (5Z)-5-{[1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
C370-1621 Screening compound: (5Z)-5-{[1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C370-1621
(5Z)-5-{[1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione

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

C370-1621

Molecular Formula

C23H18FN3O4 (C23 H18 FN3 O4)

Compound Name

(5Z)-5-{[1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-5-{[1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-13-diazinane-246-trione

SMILES

CCOc(cc1)ccc1-n1c(/C=C(/C(NC(N2c(cc3)ccc3F)=O)=O)\C2=O)ccc1

InChI

InChI=1S/C23H18FN3O4/c1-2-31-19-11-9-16(10-12-19)26-13-3-4-18(26)14-20-21(28)25-23(30)27(22(20)29)17-7-5-15(24)6-8-17/h3-14H,2H2,1H3,(H,25,28,30)

InChI Key

OZTVSMMDVZFSNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.596

Distribution Coefficient, logD

3.337

Water Solubility, LogSw

-3.63

Polar Surface Area

63.044

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

-3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C370-1621 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C370-1621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-1621?
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What is the minimum amount of C370-1621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-1621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-1621
  • 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 C370-1621 available by request