3410-2556 Screening compound: 10-isobutyryl-3,3-dimethyl-11-[5-(3-nitrophenyl)-2-furyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3410-2556 Screening compound: 10-isobutyryl-3,3-dimethyl-11-[5-(3-nitrophenyl)-2-furyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3410-2556 Screening compound: 10-isobutyryl-3,3-dimethyl-11-[5-(3-nitrophenyl)-2-furyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3410-2556
10-isobutyryl-3,3-dimethyl-11-[5-(3-nitrophenyl)-2-furyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

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

3410-2556

Molecular Formula

C29H29N3O5 (C29 H29 N3 O5)

Compound Name

10-isobutyryl-3,3-dimethyl-11-[5-(3-nitrophenyl)-2-furyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

1414-dimethyl-9-(2-methylpropanoyl)-10-[5-(3-nitrophenyl)furan-2-yl]-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CC(C)C(N(C1c2ccc(-c3cccc([N+]([O-])=O)c3)o2)c(cccc2)c2NC(CC(C)(C)C2)=C1C2=O)=O

InChI

InChI=1S/C29H29N3O5/c1-17(2)28(34)31-22-11-6-5-10-20(22)30-21-15-29(3,4)16-23(33)26(21)27(31)25-13-12-24(37-25)18-8-7-9-19(14-18)32(35)36/h5-14,17,27,30H,15-16H2,1-4H3/t27-/m0/s1

InChI Key

SDBRMROCHBVHGM-MHZLTWQESA-N

MDL Number (MFCD)

MFCD01954411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.018

Distribution Coefficient, logD

5.680

Water Solubility, LogSw

-5.50

Polar Surface Area

81.217

Acid Dissociation Constant (pKa)

7.33

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

3410-2556 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3410-2556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3410-2556?
Check Price and Availability of 3410-2556, 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 3410-2556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3410-2556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3410-2556
  • 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 3410-2556 available by request