8020-2644 Screening compound: 2,4-diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-fluorophenyl)-6-oxo-5H,6H,7H,8H,9H,10H-cyclohexa[b]1,8-naphthyridine-3-carbonitrile

8020-2644 Screening compound: 2,4-diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-fluorophenyl)-6-oxo-5H,6H,7H,8H,9H,10H-cyclohexa[b]1,8-naphthyridine-3-carbonitrile
8020-2644 Screening compound: 2,4-diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-fluorophenyl)-6-oxo-5H,6H,7H,8H,9H,10H-cyclohexa[b]1,8-naphthyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2644
2,4-diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-fluorophenyl)-6-oxo-5H,6H,7H,8H,9H,10H-cyclohexa[b]1,8-naphthyridine-3-carbonitrile

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

8020-2644

Molecular Formula

C28H23FN6OS (C28 H23 FN6 OS)

Compound Name

2,4-diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-fluorophenyl)-6-oxo-5H,6H,7H,8H,9H,10H-cyclohexa[b]1,8-naphthyridine-3-carbonitrile

IUPAC name

24-diamino-10-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)-5-(4-fluorophenyl)-6-oxo-5H6H7H8H9H10H-cyclohexa[b]18-naphthyridine-3-carbonitrile

SMILES

Nc1c(C(c(cc2)ccc2F)C(C(CCC2)=O)=C2N2c(sc3c4CCCC3)c4C#N)c2nc(N)c1C#N

InChI

InChI=1S/C28H23FN6OS/c29-15-10-8-14(9-11-15)22-23-19(5-3-6-20(23)36)35(27-24(22)25(32)18(13-31)26(33)34-27)28-17(12-30)16-4-1-2-7-21(16)37-28/h8-11,22H,1-7H2,(H4,32,33,34)/t22-/m0/s1

InChI Key

XFCPYQLRUPPEJN-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD18075418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.532

Distribution Coefficient, logD

4.532

Water Solubility, LogSw

-4.78

Polar Surface Area

99.336

Acid Dissociation Constant (pKa)

16.22

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 8020-2644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2644?
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What is the minimum amount of 8020-2644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2644
  • 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 8020-2644 available by request