8018-2788 Screening compound: 3-amino-9-(methoxymethyl)-7-methyl-2-(4-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

8018-2788 Screening compound: 3-amino-9-(methoxymethyl)-7-methyl-2-(4-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
8018-2788 Screening compound: 3-amino-9-(methoxymethyl)-7-methyl-2-(4-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2788
3-amino-9-(methoxymethyl)-7-methyl-2-(4-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-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

8018-2788

Molecular Formula

C18H15N5O4S (C18 H15 N5 O4 S)

Compound Name

3-amino-9-(methoxymethyl)-7-methyl-2-(4-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

IUPAC name

5-amino-13-(methoxymethyl)-11-methyl-4-(4-nitrophenyl)-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-6-one

SMILES

Cc1cc(COC)c(c(N=C(c(cc2)ccc2[N+]([O-])=O)N(C2=O)N)c2s2)c2n1

InChI

InChI=1S/C18H15N5O4S/c1-9-7-11(8-27-2)13-14-15(28-17(13)20-9)18(24)22(19)16(21-14)10-3-5-12(6-4-10)23(25)26/h3-7H,8,19H2,1-2H3

InChI Key

OFNRQWTVFWDMEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.506

Distribution Coefficient, logD

2.506

Water Solubility, LogSw

-2.84

Polar Surface Area

91.207

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8018-2788 in Drug Discovery

Included in Screening Libraries

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 8018-2788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2788?
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What is the minimum amount of 8018-2788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2788
  • 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 8018-2788 available by request