D383-0025 Screening compound: 5-(4-bromophenyl)-1,3-dimethyl-10-(2-thienyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

D383-0025 Screening compound: 5-(4-bromophenyl)-1,3-dimethyl-10-(2-thienyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
D383-0025 Screening compound: 5-(4-bromophenyl)-1,3-dimethyl-10-(2-thienyl)-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 D383-0025
5-(4-bromophenyl)-1,3-dimethyl-10-(2-thienyl)-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

D383-0025

Molecular Formula

C21H18BrN3O3S (C21 H18 BrN3 O3 S)

Compound Name

5-(4-bromophenyl)-1,3-dimethyl-10-(2-thienyl)-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-(4-bromophenyl)-35-dimethyl-13-(thiophen-2-yl)-12-oxa-359-triazatricyclo[7.4.0.0^{27}]trideca-17-diene-46-dione

SMILES

CN(c1c(C(c2cccs2)OCC2)n2c(-c(cc2)ccc2Br)c1C(N1C)=O)C1=O

InChI

InChI=1S/C21H18BrN3O3S/c1-23-17-15(20(26)24(2)21(23)27)16(12-5-7-13(22)8-6-12)25-9-10-28-19(18(17)25)14-4-3-11-29-14/h3-8,11,19H,9-10H2,1-2H3/t19-/m0/s1

InChI Key

RCGFEFQEBBEBDT-IBGZPJMESA-N

MDL Number (MFCD)

MFCD08142638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.472

Distribution Coefficient, logD

4.472

Water Solubility, LogSw

-4.39

Polar Surface Area

41.398

Acid Dissociation Constant (pKa)

25.28

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

D383-0025 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 D383-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D383-0025?
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What is the minimum amount of D383-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D383-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D383-0025
  • 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 D383-0025 available by request