D383-0102 Screening compound: 5-(4-bromophenyl)-1,3,7,7-tetramethyl-10-(5-methyl-2-furyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

D383-0102 Screening compound: 5-(4-bromophenyl)-1,3,7,7-tetramethyl-10-(5-methyl-2-furyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
D383-0102 Screening compound: 5-(4-bromophenyl)-1,3,7,7-tetramethyl-10-(5-methyl-2-furyl)-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 D383-0102
5-(4-bromophenyl)-1,3,7,7-tetramethyl-10-(5-methyl-2-furyl)-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

D383-0102

Molecular Formula

C24H24BrN3O4 (C24 H24 BrN3 O4)

Compound Name

5-(4-bromophenyl)-1,3,7,7-tetramethyl-10-(5-methyl-2-furyl)-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)-351010-tetramethyl-13-(5-methylfuran-2-yl)-12-oxa-359-triazatricyclo[7.4.0.0^{27}]trideca-17-diene-46-dione

SMILES

CC(C)(COC(c1ccc(C)o1)c1c2N(C)C(N3C)=O)n1c(-c(cc1)ccc1Br)c2C3=O

InChI

InChI=1S/C24H24BrN3O4/c1-13-6-11-16(32-13)21-20-19-17(22(29)27(5)23(30)26(19)4)18(14-7-9-15(25)10-8-14)28(20)24(2,3)12-31-21/h6-11,21H,12H2,1-5H3/t21-/m0/s1

InChI Key

SRHINGCLJZELSN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27582562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.891

Distribution Coefficient, logD

4.891

Water Solubility, LogSw

-4.89

Polar Surface Area

49.395

Acid Dissociation Constant (pKa)

25.99

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D383-0102 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D383-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D383-0102?
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What is the minimum amount of D383-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D383-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D383-0102
  • 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 D383-0102 available by request