8012-5078 Screening compound: 2-{3',3',5'-trimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indol]-1'-yl}acetamide

8012-5078 Screening compound: 2-{3',3',5'-trimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indol]-1'-yl}acetamide
8012-5078 Screening compound: 2-{3',3',5'-trimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indol]-1'-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5078
2-{3',3',5'-trimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indol]-1'-yl}acetamide

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

8012-5078

Molecular Formula

C21H21N3O4 (C21 H21 N3 O4)

Compound Name

2-{3',3',5'-trimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indol]-1'-yl}acetamide

IUPAC name

2-{3'3'5'-trimethyl-6-nitro-1'3'-dihydrospiro[chromene-22'-indol]-1'-yl}acetamide

SMILES

CC1(C)c(cc(C)cc2)c2N(CC(N)=O)C1(C=C1)Oc(cc2)c1cc2[N+]([O-])=O

InChI

InChI=1S/C21H21N3O4/c1-13-4-6-17-16(10-13)20(2,3)21(23(17)12-19(22)25)9-8-14-11-15(24(26)27)5-7-18(14)28-21/h4-11H,12H2,1-3H3,(H2,22,25)/t21-/m1/s1

InChI Key

VJZRLAWGXDMHRR-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03017942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.894

Distribution Coefficient, logD

3.894

Water Solubility, LogSw

-4.22

Polar Surface Area

75.436

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 8012-5078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5078?
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What is the minimum amount of 8012-5078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5078
  • 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 8012-5078 available by request