8010-1971 Screening compound: 1-amino-2-cyano-3-(3,5-diiodo-2-methoxyphenyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

8010-1971 Screening compound: 1-amino-2-cyano-3-(3,5-diiodo-2-methoxyphenyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
8010-1971 Screening compound: 1-amino-2-cyano-3-(3,5-diiodo-2-methoxyphenyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-1971
1-amino-2-cyano-3-(3,5-diiodo-2-methoxyphenyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

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

8010-1971

Molecular Formula

C20H11I2N5O (C20 H11 I2 N5 O)

Compound Name

1-amino-2-cyano-3-(3,5-diiodo-2-methoxyphenyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

13-amino-11-(35-diiodo-2-methoxyphenyl)-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-1012-dicarbonitrile

SMILES

COc(c(-c(c(C#N)c(N)n1c2nc3c1cccc3)c2C#N)cc(I)c1)c1I

InChI

InChI=1S/C20H11I2N5O/c1-28-18-11(6-10(21)7-14(18)22)17-12(8-23)19(25)27-16-5-3-2-4-15(16)26-20(27)13(17)9-24/h2-7H,25H2,1H3

InChI Key

VEUPCTHVACEWFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00632827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

591.15

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.442

Distribution Coefficient, logD

5.442

Water Solubility, LogSw

-5.70

Polar Surface Area

68.861

Acid Dissociation Constant (pKa)

17.91

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

8010-1971 in Drug Discovery

Included in Screening Libraries

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

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 8010-1971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-1971?
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What is the minimum amount of 8010-1971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-1971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1971
  • 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 8010-1971 available by request