D383-0021 Screening compound: 5-(3-bromophenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

D383-0021 Screening compound: 5-(3-bromophenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
D383-0021 Screening compound: 5-(3-bromophenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D383-0021
5-(3-bromophenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(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

D383-0021

Molecular Formula

C17H16BrN3O3 (C17 H16 BrN3 O3)

Compound Name

5-(3-bromophenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

IUPAC name

8-(3-bromophenyl)-35-dimethyl-12-oxa-359-triazatricyclo[7.4.0.0^{27}]trideca-17-diene-46-dione

SMILES

CN(c1c(COCC2)n2c(-c2cccc(Br)c2)c1C(N1C)=O)C1=O

InChI

InChI=1S/C17H16BrN3O3/c1-19-15-12-9-24-7-6-21(12)14(10-4-3-5-11(18)8-10)13(15)16(22)20(2)17(19)23/h3-5,8H,6-7,9H2,1-2H3

InChI Key

YZMNGZOAKYVYNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27582557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.752

Distribution Coefficient, logD

2.752

Water Solubility, LogSw

-2.96

Polar Surface Area

40.932

Acid Dissociation Constant (pKa)

26.86

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

D383-0021 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with D383-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D383-0021?
Check Price and Availability of D383-0021, 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 D383-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D383-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D383-0021
  • 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 D383-0021 available by request