V006-1028 Screening compound: {1-[4-(difluoromethoxy)phenyl]-6-methoxy-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl}(3-iodophenyl)methanone

V006-1028 Screening compound: {1-[4-(difluoromethoxy)phenyl]-6-methoxy-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl}(3-iodophenyl)methanone
V006-1028 Screening compound: {1-[4-(difluoromethoxy)phenyl]-6-methoxy-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl}(3-iodophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-1028
{1-[4-(difluoromethoxy)phenyl]-6-methoxy-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl}(3-iodophenyl)methanone

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

V006-1028

Molecular Formula

C26H21F2IN2O3 (C26 H21 F2 IN2 O3)

Compound Name

{1-[4-(difluoromethoxy)phenyl]-6-methoxy-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl}(3-iodophenyl)methanone

IUPAC name

1-[4-(difluoromethoxy)phenyl]-2-(3-iodobenzoyl)-6-methoxy-1H2H3H4H9H-pyrido[34-b]indole

SMILES

COc(cc1)cc2c1[nH]c(C1c(cc3)ccc3OC(F)F)c2CCN1C(c1cccc(I)c1)=O

InChI

InChI=1S/C26H21F2IN2O3/c1-33-19-9-10-22-21(14-19)20-11-12-31(25(32)16-3-2-4-17(29)13-16)24(23(20)30-22)15-5-7-18(8-6-15)34-26(27)28/h2-10,13-14,24,26,30H,11-12H2,1H3/t24-/m1/s1

InChI Key

BUUKUSUHXRVZNI-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19949512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.383

Distribution Coefficient, logD

6.383

Water Solubility, LogSw

-5.79

Polar Surface Area

40.220

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.23

V006-1028 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V006-1028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-1028?
Check Price and Availability of V006-1028, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V006-1028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-1028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-1028
  • 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 V006-1028 available by request