8007-2987 Screening compound: 1,3-dimethyl 5-[4-(methoxycarbonyl)-2-nitrophenoxy]benzene-1,3-dicarboxylate

8007-2987 Screening compound: 1,3-dimethyl 5-[4-(methoxycarbonyl)-2-nitrophenoxy]benzene-1,3-dicarboxylate
8007-2987 Screening compound: 1,3-dimethyl 5-[4-(methoxycarbonyl)-2-nitrophenoxy]benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-2987
1,3-dimethyl 5-[4-(methoxycarbonyl)-2-nitrophenoxy]benzene-1,3-dicarboxylate

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

8007-2987

Molecular Formula

C18H15NO9 (C18 H15 NO9)

Compound Name

1,3-dimethyl 5-[4-(methoxycarbonyl)-2-nitrophenoxy]benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-[4-(methoxycarbonyl)-2-nitrophenoxy]benzene-13-dicarboxylate

SMILES

COC(c(cc1)cc([N+]([O-])=O)c1Oc1cc(C(OC)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C18H15NO9/c1-25-16(20)10-4-5-15(14(9-10)19(23)24)28-13-7-11(17(21)26-2)6-12(8-13)18(22)27-3/h4-9H,1-3H3

InChI Key

NZUIFJUDFWPJPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00134364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.32

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.193

Distribution Coefficient, logD

3.193

Water Solubility, LogSw

-3.69

Polar Surface Area

103.675

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8007-2987 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8007-2987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-2987?
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What is the minimum amount of 8007-2987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-2987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-2987
  • 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 8007-2987 available by request