8018-3253 Screening compound: 2,4-diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-nitrophenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile

8018-3253 Screening compound: 2,4-diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-nitrophenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile
8018-3253 Screening compound: 2,4-diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-nitrophenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3253
2,4-diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-nitrophenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[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

8018-3253

Molecular Formula

C28H23N7O3S (C28 H23 N7 O3 S)

Compound Name

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

IUPAC name

n/a

SMILES

Nc1c(C(c2cc([N+]([O-])=O)ccc2)C(C(CCC2)=O)=C2N2c(sc3c4CCCC3)c4C#N)c2nc(N)c1C#N

InChI

InChI=1S/C28H23N7O3S/c29-12-17-16-7-1-2-10-21(16)39-28(17)34-19-8-4-9-20(36)23(19)22(14-5-3-6-15(11-14)35(37)38)24-25(31)18(13-30)26(32)33-27(24)34/h3,5-6,11,22H,1-2,4,7-10H2,(H4,31,32,33)/t22-/m0/s1

InChI Key

YTPXIYYQEZRIGS-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.368

Distribution Coefficient, logD

4.368

Water Solubility, LogSw

-4.72

Polar Surface Area

132.718

Acid Dissociation Constant (pKa)

16.69

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 8018-3253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3253?
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What is the minimum amount of 8018-3253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3253
  • 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 8018-3253 available by request