8010-8883 Screening compound: 1,3-dimethyl-5-(4-nitrophenyl)-5,6-dihydropyrimido[4,5-b][1,5]benzoxazepine-2,4(1H,3H)-dione

8010-8883 Screening compound: 1,3-dimethyl-5-(4-nitrophenyl)-5,6-dihydropyrimido[4,5-b][1,5]benzoxazepine-2,4(1H,3H)-dione
8010-8883 Screening compound: 1,3-dimethyl-5-(4-nitrophenyl)-5,6-dihydropyrimido[4,5-b][1,5]benzoxazepine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-8883
1,3-dimethyl-5-(4-nitrophenyl)-5,6-dihydropyrimido[4,5-b][1,5]benzoxazepine-2,4(1H,3H)-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

8010-8883

Molecular Formula

C19H16N4O5 (C19 H16 N4 O5)

Compound Name

1,3-dimethyl-5-(4-nitrophenyl)-5,6-dihydropyrimido[4,5-b][1,5]benzoxazepine-2,4(1H,3H)-dione

IUPAC name

46-dimethyl-9-(4-nitrophenyl)-2-oxa-4610-triazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)1214-tetraene-57-dione

SMILES

CN(C(C1=C(N2C)Oc(cccc3)c3NC1c(cc1)ccc1[N+]([O-])=O)=O)C2=O

InChI

InChI=1S/C19H16N4O5/c1-21-17(24)15-16(11-7-9-12(10-8-11)23(26)27)20-13-5-3-4-6-14(13)28-18(15)22(2)19(21)25/h3-10,16,20H,1-2H3/t16-/m0/s1

InChI Key

CMCKKJYBQLVTJB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00661025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.806

Distribution Coefficient, logD

2.806

Water Solubility, LogSw

-3.52

Polar Surface Area

84.238

Acid Dissociation Constant (pKa)

16.50

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.79

References: we are preparing a list of scientific research reports with 8010-8883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-8883?
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What is the minimum amount of 8010-8883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-8883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-8883
  • 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 8010-8883 available by request