V011-1887 Screening compound: 1-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(thiophene-2-carbonyl)-1,4-diazepane

V011-1887 Screening compound: 1-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(thiophene-2-carbonyl)-1,4-diazepane
V011-1887 Screening compound: 1-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(thiophene-2-carbonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-1887
1-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(thiophene-2-carbonyl)-1,4-diazepane

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

V011-1887

Molecular Formula

C27H31FN6OS (C27 H31 FN6 OS)

Compound Name

1-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(thiophene-2-carbonyl)-1,4-diazepane

IUPAC name

1-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[34-d]pyrimidin-4-yl]-4-(thiophene-2-carbonyl)-14-diazepane

SMILES

CCCC(C)c1nc(n(-c(cc2)ccc2F)nc2C)c2c(N(CCC2)CCN2C(c2cccs2)=O)n1

InChI

InChI=1S/C27H31FN6OS/c1-4-7-18(2)24-29-25(32-13-6-14-33(16-15-32)27(35)22-8-5-17-36-22)23-19(3)31-34(26(23)30-24)21-11-9-20(28)10-12-21/h5,8-12,17-18H,4,6-7,13-16H2,1-3H3/t18-/m0/s1

InChI Key

ZEZZYJYAYIHECR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19862532

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

506.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.921

Distribution Coefficient, logD

5.301

Water Solubility, LogSw

-5.68

Polar Surface Area

54.781

Acid Dissociation Constant (pKa)

21.65

Base Dissociation Constant (pKb)

7.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.74

V011-1887 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 V011-1887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-1887?
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What is the minimum amount of V011-1887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-1887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-1887
  • 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 V011-1887 available by request